data_[Bi6Rh8Se2]
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 [Imm2]
_cell_length_a [5.5651]
_cell_length_b [9.2148]
_cell_length_c [6.8182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Bi3Rh4Se]
_chemical_formula_sum '[Bi6 Rh8 Se2]'
_cell_volume [349.6420]
_cell_formula_units_Z [2]
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  0.0000  0.2720  0.5961  1
  Bi  Bi1  2  0.0000  0.0000  0.9265  1
  Rh  Rh2  4  0.0000  0.2556  0.1997  1
  Rh  Rh3  4  0.2385  0.0000  0.2816  1
  Se  Se4  2  0.0000  0.5000  0.0696  1
]