data_[Mn4Cr4Cd2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1575]
_cell_length_b [11.2048]
_cell_length_c [6.2039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Cr2CdS6]
_chemical_formula_sum '[Mn4 Cr4 Cd2 S12]'
_cell_volume [405.4059]
_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
[
  Mn  Mn0  4  0.0000  0.1607  0.0000  1.0
  Cr  Cr1  4  0.0000  0.3362  0.5000  1.0
  Cd  Cd2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2492  0.1892  0.7384  1.0
  S  S4  4  0.2309  0.5000  0.7467  1.0
]