data_[Mn4Ni4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0861]
_cell_length_b [3.3983]
_cell_length_c [9.3300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8960]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnNiBi]
_chemical_formula_sum '[Mn4 Ni4 Bi4]'
_cell_volume [239.5183]
_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
[
  Mn  Mn0  2  0.0534  0.0000  0.3532  1
  Mn  Mn1  2  0.2208  0.5000  0.5212  1
  Ni  Ni2  2  0.2156  0.5000  0.2416  1
  Ni  Ni3  2  0.3896  0.0000  0.4384  1
  Bi  Bi4  2  0.0770  0.0000  0.6910  1
  Bi  Bi5  2  0.4571  0.5000  0.0497  1
]