data_[Cr10S14]
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 [C2/m]
_cell_length_a [11.4375]
_cell_length_b [3.4151]
_cell_length_c [10.7300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4134]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr5S7]
_chemical_formula_sum '[Cr10 S14]'
_cell_volume [402.0418]
_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
[
  Cr  Cr0  4  0.1166  0.0000  0.4252  1
  Cr  Cr1  4  0.1847  0.5000  0.8360  1
  Cr  Cr2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.0352  0.0000  0.7880  1
  S  S4  4  0.1568  0.5000  0.0521  1
  S  S5  4  0.2349  0.5000  0.3684  1
  S  S6  2  0.0000  0.5000  0.5000  1
]