data_[Bi4Rh4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6141]
_cell_length_b [6.3956]
_cell_length_c [6.6513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BiRhSe]
_chemical_formula_sum '[Bi4 Rh4 Se4]'
_cell_volume [270.6044]
_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
[
  Bi  Bi0  4  0.1458  0.6320  0.3580  1.0
  Rh  Rh1  4  0.2680  0.0124  0.2586  1.0
  Se  Se2  4  0.3561  0.1307  0.6419  1.0
]