data_[Bi2Rh2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2293]
_cell_length_b [3.4804]
_cell_length_c [8.0543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BiRhS2]
_chemical_formula_sum '[Bi2 Rh2 S4]'
_cell_volume [164.7556]
_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  2  0.0000  0.0000  0.0000  1
  Rh  Rh1  2  0.0000  0.0000  0.5000  1
  S  S2  4  0.1037  0.5000  0.3359  1
]