# generated using pymatgen
data_Zr8Ni61B18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52045581
_cell_length_b   7.52045581
_cell_length_c   18.53253793
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni61B18
_chemical_formula_sum   'Zr8 Ni61 B18'
_cell_volume   907.72408049
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.00000000  0.00000000  0.24922000  1
  Zr  Zr1  1  0.33333300  0.66666700  0.91729500  1
  Zr  Zr2  1  0.66666700  0.33333300  0.58332000  1
  Zr  Zr3  1  0.66666700  0.33333300  0.08270500  1
  Zr  Zr4  1  0.00000000  0.00000000  0.75078000  1
  Zr  Zr5  1  0.33333300  0.66666700  0.41668000  1
  Zr  Zr6  1  0.33333300  0.66666700  0.66793800  1
  Zr  Zr7  1  0.66666700  0.33333300  0.33206200  1
  Ni  Ni8  1  0.01003300  0.67671800  0.33307700  1
  Ni  Ni9  1  0.33840500  0.33840500  0.00000000  1
  Ni  Ni10  1  0.67671800  0.01003300  0.66692300  1
  Ni  Ni11  1  0.78323500  0.56647000  0.21593900  1
  Ni  Ni12  1  0.11093100  0.22186100  0.88962900  1
  Ni  Ni13  1  0.44828400  0.89656900  0.55218700  1
  Ni  Ni14  1  0.00000000  0.33840500  0.00000000  1
  Ni  Ni15  1  0.33333300  0.01003300  0.66692300  1
  Ni  Ni16  1  0.66666700  0.67671800  0.33307700  1
  Ni  Ni17  1  0.78323500  0.21676500  0.21593900  1
  Ni  Ni18  1  0.11093100  0.88906900  0.88962900  1
  Ni  Ni19  1  0.44828400  0.55171600  0.55218700  1
  Ni  Ni20  1  0.01003300  0.33333300  0.33307700  1
  Ni  Ni21  1  0.33840500  0.00000000  0.00000000  1
  Ni  Ni22  1  0.67671800  0.66666700  0.66692300  1
  Ni  Ni23  1  0.66666700  0.98996700  0.33307700  1
  Ni  Ni24  1  0.00000000  0.66159500  0.00000000  1
  Ni  Ni25  1  0.33333300  0.32328200  0.66692300  1
  Ni  Ni26  1  0.88906900  0.11093100  0.11037100  1
  Ni  Ni27  1  0.21676500  0.78323500  0.78406100  1
  Ni  Ni28  1  0.55171600  0.44828400  0.44781300  1
  Ni  Ni29  1  0.88906900  0.77813900  0.11037100  1
  Ni  Ni30  1  0.21676500  0.43353000  0.78406100  1
  Ni  Ni31  1  0.55171600  0.10343100  0.44781300  1
  Ni  Ni32  1  0.22186100  0.11093100  0.11037100  1
  Ni  Ni33  1  0.56647000  0.78323500  0.78406100  1
  Ni  Ni34  1  0.89656900  0.44828400  0.44781300  1
  Ni  Ni35  1  0.66159500  0.66159500  0.00000000  1
  Ni  Ni36  1  0.98996700  0.32328200  0.66692300  1
  Ni  Ni37  1  0.32328200  0.98996700  0.33307700  1
  Ni  Ni38  1  0.32328200  0.33333300  0.33307700  1
  Ni  Ni39  1  0.66159500  0.00000000  0.00000000  1
  Ni  Ni40  1  0.98996700  0.66666700  0.66692300  1
  Ni  Ni41  1  0.43353000  0.21676500  0.21593900  1
  Ni  Ni42  1  0.77813900  0.88906900  0.88962900  1
  Ni  Ni43  1  0.10343100  0.55171600  0.55218700  1
  Ni  Ni44  1  0.18218200  0.36436400  0.20413500  1
  Ni  Ni45  1  0.51516200  0.03032400  0.87147600  1
  Ni  Ni46  1  0.84879000  0.69757900  0.53788600  1
  Ni  Ni47  1  0.18218200  0.81781800  0.20413500  1
  Ni  Ni48  1  0.51516200  0.48483800  0.87147600  1
  Ni  Ni49  1  0.84879000  0.15121000  0.53788600  1
  Ni  Ni50  1  0.33333300  0.66666700  0.05307100  1
  Ni  Ni51  1  0.66666700  0.33333300  0.71967800  1
  Ni  Ni52  1  0.00000000  0.00000000  0.38592800  1
  Ni  Ni53  1  0.63563600  0.81781800  0.20413500  1
  Ni  Ni54  1  0.96967600  0.48483800  0.87147600  1
  Ni  Ni55  1  0.30242100  0.15121000  0.53788600  1
  Ni  Ni56  1  0.48483800  0.96967600  0.12852400  1
  Ni  Ni57  1  0.81781800  0.63563600  0.79586500  1
  Ni  Ni58  1  0.15121000  0.30242100  0.46211400  1
  Ni  Ni59  1  0.48483800  0.51516200  0.12852400  1
  Ni  Ni60  1  0.81781800  0.18218200  0.79586500  1
  Ni  Ni61  1  0.15121000  0.84879000  0.46211400  1
  Ni  Ni62  1  0.33333300  0.66666700  0.28032200  1
  Ni  Ni63  1  0.66666700  0.33333300  0.94692900  1
  Ni  Ni64  1  0.00000000  0.00000000  0.61407200  1
  Ni  Ni65  1  0.03032400  0.51516200  0.12852400  1
  Ni  Ni66  1  0.36436400  0.18218200  0.79586500  1
  Ni  Ni67  1  0.69757900  0.84879000  0.46211400  1
  Ni  Ni68  1  0.00000000  0.00000000  0.00000000  1
  B  B69  1  0.49061600  0.50938400  0.24459300  1
  B  B70  1  0.82122800  0.17877200  0.91103200  1
  B  B71  1  0.15683300  0.84316700  0.57810800  1
  B  B72  1  0.17877200  0.35754400  0.08896800  1
  B  B73  1  0.50938400  0.01876800  0.75540700  1
  B  B74  1  0.84316700  0.68633400  0.42189200  1
  B  B75  1  0.01876800  0.50938400  0.24459300  1
  B  B76  1  0.35754400  0.17877200  0.91103200  1
  B  B77  1  0.68633400  0.84316700  0.57810800  1
  B  B78  1  0.17877200  0.82122800  0.08896800  1
  B  B79  1  0.50938400  0.49061600  0.75540700  1
  B  B80  1  0.84316700  0.15683300  0.42189200  1
  B  B81  1  0.49061600  0.98123200  0.24459300  1
  B  B82  1  0.82122800  0.64245600  0.91103200  1
  B  B83  1  0.15683300  0.31366600  0.57810800  1
  B  B84  1  0.64245600  0.82122800  0.08896800  1
  B  B85  1  0.98123200  0.49061600  0.75540700  1
  B  B86  1  0.31366600  0.15683300  0.42189200  1
