data_[Ni4Bi4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3079]
_cell_length_b [5.6793]
_cell_length_c [7.5254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NiBiSe]
_chemical_formula_sum '[Ni4 Bi4 Se4]'
_cell_volume [269.5819]
_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  4  0.2188  0.5368  0.3449  1.0
  Bi  Bi1  4  0.4006  0.2447  0.1170  1.0
  Se  Se2  4  0.1172  0.6569  0.6460  1.0
]