# generated using pymatgen
data_Ni6Ge2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20211105
_cell_length_b   6.20211105
_cell_length_c   2.95628587
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni6Ge2B
_chemical_formula_sum   'Ni6 Ge2 B1'
_cell_volume   98.48183576
_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
  Ni  Ni0  1  0.76482800  0.76482800  0.00000000  1
  Ni  Ni1  1  0.23517200  0.00000000  0.00000000  1
  Ni  Ni2  1  0.00000000  0.23517200  0.00000000  1
  Ni  Ni3  1  0.38049200  0.38049200  0.50000000  1
  Ni  Ni4  1  0.61950800  0.00000000  0.50000000  1
  Ni  Ni5  1  0.00000000  0.61950800  0.50000000  1
  Ge  Ge6  1  0.66666700  0.33333300  0.00000000  1
  Ge  Ge7  1  0.33333300  0.66666700  0.00000000  1
  B  B8  1  0.00000000  0.00000000  0.50000000  1
