data_[Cu2Rh2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [3.5698]
_cell_length_b [6.6712]
_cell_length_c [6.4921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2220]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CuRhS2]
_chemical_formula_sum '[Cu2 Rh2 S4]'
_cell_volume [133.5948]
_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
[
  Cu  Cu0  2  0.2957  0.1387  0.2366  1.0
  Rh  Rh1  2  0.4179  0.3178  0.6410  1.0
  S  S2  2  0.0959  0.1403  0.8436  1.0
  S  S3  2  0.6812  0.4135  0.3998  1.0
]