data_[Cr12In3Cu3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.1210]
_cell_length_b [7.1210]
_cell_length_c [17.8489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cr4InCuS8]
_chemical_formula_sum '[Cr12 In3 Cu3 S24]'
_cell_volume [783.8307]
_cell_formula_units_Z [3]
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
[
  Cr  Cr0  9  0.0083  0.5041  0.5009  1
  Cr  Cr1  3  0.0000  0.0000  0.3727  1
  In  In2  3  0.0000  0.0000  0.9972  1
  Cu  Cu3  3  0.0000  0.0000  0.6259  1
  S  S4  9  0.0095  0.5047  0.7598  1
  S  S5  9  0.1709  0.3417  0.5742  1
  S  S6  3  0.0000  0.0000  0.2407  1
  S  S7  3  0.0000  0.0000  0.7589  1
]