data_[Cd4P4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [11.0526]
_cell_length_b [6.0295]
_cell_length_c [8.4563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cd2P2S7]
_chemical_formula_sum '[Cd4 P4 S14]'
_cell_volume [542.6897]
_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  4  0.1995  0.9832  0.1633  1.0
  P  P1  4  0.0869  0.0038  0.7047  1.0
  S  S2  4  0.0298  0.2233  0.2337  1.0
  S  S3  4  0.1287  0.7542  0.8829  1.0
  S  S4  4  0.2357  0.1457  0.6492  1.0
  S  S5  2  0.0000  0.7918  0.5000  1.0
]