data_[Cr12S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C222]
_cell_length_a [5.6991]
_cell_length_b [21.0534]
_cell_length_c [18.1642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [21]
_chemical_formula_structural [Cr3S4]
_chemical_formula_sum '[Cr12 S16]'
_cell_volume [2179.4348]
_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
[
  Cr  Cr0  4  0.0000  0.3675  0.0000  1
  Cr  Cr1  4  0.2500  0.2500  0.9931  1
  Cr  Cr2  2  0.0000  0.0000  0.0000  1
  Cr  Cr3  2  0.0000  0.5000  0.0000  1
  S  S4  8  0.0224  0.2929  0.0870  1
  S  S5  8  0.2452  0.5663  0.0574  1
]