data_[Cu4Rh4S8]
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 [Pna2_1]
_cell_length_a [6.7443]
_cell_length_b [7.2676]
_cell_length_c [5.7985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [CuRhS2]
_chemical_formula_sum '[Cu4 Rh4 S8]'
_cell_volume [284.2133]
_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
[
  Cu  Cu0  4  0.0450  0.8760  0.9936  1
  Rh  Rh1  4  0.1021  0.4098  0.0211  1
  S  S2  4  0.0744  0.8481  0.6053  1
  S  S3  4  0.1298  0.3696  0.6298  1
]