# generated using pymatgen
data_NiBiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23738800
_cell_length_b   6.23738800
_cell_length_c   6.23738800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiSe
_chemical_formula_sum   'Ni4 Bi4 Se4'
_cell_volume   242.66563667
_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  0.26567100  0.73432900  0.23432900  1.0
  Ni  Ni1  1  0.76567100  0.76567100  0.76567100  1.0
  Ni  Ni2  1  0.23432900  0.26567100  0.73432900  1.0
  Ni  Ni3  1  0.73432900  0.23432900  0.26567100  1.0
  Bi  Bi4  1  0.38300000  0.88300000  0.61700000  1.0
  Bi  Bi5  1  0.88300000  0.61700000  0.38300000  1.0
  Bi  Bi6  1  0.61700000  0.38300000  0.88300000  1.0
  Bi  Bi7  1  0.11700000  0.11700000  0.11700000  1.0
  Se  Se8  1  0.37878500  0.37878500  0.37878500  1.0
  Se  Se9  1  0.62121500  0.87878500  0.12121500  1.0
  Se  Se10  1  0.87878500  0.12121500  0.62121500  1.0
  Se  Se11  1  0.12121500  0.62121500  0.87878500  1.0