data_[Cd2Fe2P4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.1247]
_cell_length_b [10.6423]
_cell_length_c [7.4068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CdFe(PS3)2]
_chemical_formula_sum '[Cd2 Fe2 P4 S12]'
_cell_volume [463.8500]
_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
[
  Cd  Cd0  2  0.0000  0.6688  0.0000  1.0
  Fe  Fe1  2  0.0000  0.3214  0.0000  1.0
  P  P2  4  0.0485  0.0009  0.1565  1.0
  S  S3  4  0.2138  0.1694  0.2323  1.0
  S  S4  4  0.2428  0.3478  0.7672  1.0
  S  S5  4  0.2489  0.4869  0.2253  1.0
]