# generated using pymatgen
data_Ni21(GeB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.46143304
_cell_length_b   10.46143304
_cell_length_c   10.46143304
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni21(GeB3)2
_chemical_formula_sum   'Ni84 Ge8 B24'
_cell_volume   1144.91577404
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.00000000  0.66820200  0.66820200  1
  Ni  Ni1  1  0.00000000  0.83179800  0.83179800  1
  Ni  Ni2  1  0.00000000  0.33179800  0.66820200  1
  Ni  Ni3  1  0.00000000  0.16820200  0.83179800  1
  Ni  Ni4  1  0.16820200  0.00000000  0.16820200  1
  Ni  Ni5  1  0.16820200  0.00000000  0.83179800  1
  Ni  Ni6  1  0.33179800  0.00000000  0.33179800  1
  Ni  Ni7  1  0.33179800  0.00000000  0.66820200  1
  Ni  Ni8  1  0.16820200  0.16820200  0.00000000  1
  Ni  Ni9  1  0.33179800  0.33179800  0.00000000  1
  Ni  Ni10  1  0.16820200  0.83179800  0.00000000  1
  Ni  Ni11  1  0.33179800  0.66820200  0.00000000  1
  Ni  Ni12  1  0.38130200  0.88130200  0.88130200  1
  Ni  Ni13  1  0.11869800  0.11869800  0.61869800  1
  Ni  Ni14  1  0.11869800  0.11869800  0.38130200  1
  Ni  Ni15  1  0.11869800  0.88130200  0.61869800  1
  Ni  Ni16  1  0.38130200  0.88130200  0.11869800  1
  Ni  Ni17  1  0.38130200  0.11869800  0.88130200  1
  Ni  Ni18  1  0.38130200  0.11869800  0.11869800  1
  Ni  Ni19  1  0.11869800  0.88130200  0.38130200  1
  Ni  Ni20  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni21  1  0.00000000  0.16820200  0.16820200  1
  Ni  Ni22  1  0.00000000  0.33179800  0.33179800  1
  Ni  Ni23  1  0.00000000  0.83179800  0.16820200  1
  Ni  Ni24  1  0.00000000  0.66820200  0.33179800  1
  Ni  Ni25  1  0.16820200  0.50000000  0.66820200  1
  Ni  Ni26  1  0.16820200  0.50000000  0.33179800  1
  Ni  Ni27  1  0.33179800  0.50000000  0.83179800  1
  Ni  Ni28  1  0.33179800  0.50000000  0.16820200  1
  Ni  Ni29  1  0.16820200  0.66820200  0.50000000  1
  Ni  Ni30  1  0.33179800  0.83179800  0.50000000  1
  Ni  Ni31  1  0.16820200  0.33179800  0.50000000  1
  Ni  Ni32  1  0.33179800  0.16820200  0.50000000  1
  Ni  Ni33  1  0.38130200  0.38130200  0.38130200  1
  Ni  Ni34  1  0.11869800  0.61869800  0.11869800  1
  Ni  Ni35  1  0.11869800  0.61869800  0.88130200  1
  Ni  Ni36  1  0.11869800  0.38130200  0.11869800  1
  Ni  Ni37  1  0.38130200  0.38130200  0.61869800  1
  Ni  Ni38  1  0.38130200  0.61869800  0.38130200  1
  Ni  Ni39  1  0.38130200  0.61869800  0.61869800  1
  Ni  Ni40  1  0.11869800  0.38130200  0.88130200  1
  Ni  Ni41  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni42  1  0.50000000  0.66820200  0.16820200  1
  Ni  Ni43  1  0.50000000  0.83179800  0.33179800  1
  Ni  Ni44  1  0.50000000  0.33179800  0.16820200  1
  Ni  Ni45  1  0.50000000  0.16820200  0.33179800  1
  Ni  Ni46  1  0.66820200  0.00000000  0.66820200  1
  Ni  Ni47  1  0.66820200  0.00000000  0.33179800  1
  Ni  Ni48  1  0.83179800  0.00000000  0.83179800  1
  Ni  Ni49  1  0.83179800  0.00000000  0.16820200  1
  Ni  Ni50  1  0.66820200  0.16820200  0.50000000  1
  Ni  Ni51  1  0.83179800  0.33179800  0.50000000  1
  Ni  Ni52  1  0.66820200  0.83179800  0.50000000  1
  Ni  Ni53  1  0.83179800  0.66820200  0.50000000  1
  Ni  Ni54  1  0.88130200  0.88130200  0.38130200  1
  Ni  Ni55  1  0.61869800  0.11869800  0.11869800  1
  Ni  Ni56  1  0.61869800  0.11869800  0.88130200  1
  Ni  Ni57  1  0.61869800  0.88130200  0.11869800  1
  Ni  Ni58  1  0.88130200  0.88130200  0.61869800  1
  Ni  Ni59  1  0.88130200  0.11869800  0.38130200  1
  Ni  Ni60  1  0.88130200  0.11869800  0.61869800  1
  Ni  Ni61  1  0.61869800  0.88130200  0.88130200  1
  Ni  Ni62  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni63  1  0.50000000  0.16820200  0.66820200  1
  Ni  Ni64  1  0.50000000  0.33179800  0.83179800  1
  Ni  Ni65  1  0.50000000  0.83179800  0.66820200  1
  Ni  Ni66  1  0.50000000  0.66820200  0.83179800  1
  Ni  Ni67  1  0.66820200  0.50000000  0.16820200  1
  Ni  Ni68  1  0.66820200  0.50000000  0.83179800  1
  Ni  Ni69  1  0.83179800  0.50000000  0.33179800  1
  Ni  Ni70  1  0.83179800  0.50000000  0.66820200  1
  Ni  Ni71  1  0.66820200  0.66820200  0.00000000  1
  Ni  Ni72  1  0.83179800  0.83179800  0.00000000  1
  Ni  Ni73  1  0.66820200  0.33179800  0.00000000  1
  Ni  Ni74  1  0.83179800  0.16820200  0.00000000  1
  Ni  Ni75  1  0.88130200  0.38130200  0.88130200  1
  Ni  Ni76  1  0.61869800  0.61869800  0.61869800  1
  Ni  Ni77  1  0.61869800  0.61869800  0.38130200  1
  Ni  Ni78  1  0.61869800  0.38130200  0.61869800  1
  Ni  Ni79  1  0.88130200  0.38130200  0.11869800  1
  Ni  Ni80  1  0.88130200  0.61869800  0.88130200  1
  Ni  Ni81  1  0.88130200  0.61869800  0.11869800  1
  Ni  Ni82  1  0.61869800  0.38130200  0.38130200  1
  Ni  Ni83  1  0.50000000  0.50000000  0.00000000  1
  Ge  Ge84  1  0.25000000  0.75000000  0.75000000  1
  Ge  Ge85  1  0.25000000  0.25000000  0.75000000  1
  Ge  Ge86  1  0.25000000  0.25000000  0.25000000  1
  Ge  Ge87  1  0.25000000  0.75000000  0.25000000  1
  Ge  Ge88  1  0.75000000  0.75000000  0.25000000  1
  Ge  Ge89  1  0.75000000  0.25000000  0.25000000  1
  Ge  Ge90  1  0.75000000  0.25000000  0.75000000  1
  Ge  Ge91  1  0.75000000  0.75000000  0.75000000  1
  B  B92  1  0.27316900  0.00000000  0.00000000  1
  B  B93  1  0.22683100  0.00000000  0.50000000  1
  B  B94  1  0.00000000  0.77316900  0.50000000  1
  B  B95  1  0.00000000  0.22683100  0.50000000  1
  B  B96  1  0.00000000  0.00000000  0.27316900  1
  B  B97  1  0.00000000  0.00000000  0.72683100  1
  B  B98  1  0.27316900  0.50000000  0.50000000  1
  B  B99  1  0.22683100  0.50000000  0.00000000  1
  B  B100  1  0.00000000  0.27316900  0.00000000  1
  B  B101  1  0.00000000  0.72683100  0.00000000  1
  B  B102  1  0.00000000  0.50000000  0.77316900  1
  B  B103  1  0.00000000  0.50000000  0.22683100  1
  B  B104  1  0.77316900  0.00000000  0.50000000  1
  B  B105  1  0.72683100  0.00000000  0.00000000  1
  B  B106  1  0.50000000  0.77316900  0.00000000  1
  B  B107  1  0.50000000  0.22683100  0.00000000  1
  B  B108  1  0.50000000  0.00000000  0.77316900  1
  B  B109  1  0.50000000  0.00000000  0.22683100  1
  B  B110  1  0.77316900  0.50000000  0.00000000  1
  B  B111  1  0.72683100  0.50000000  0.50000000  1
  B  B112  1  0.50000000  0.27316900  0.50000000  1
  B  B113  1  0.50000000  0.72683100  0.50000000  1
  B  B114  1  0.50000000  0.50000000  0.27316900  1
  B  B115  1  0.50000000  0.50000000  0.72683100  1
