data_[Cd2Te2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.6501]
_cell_length_b [4.1586]
_cell_length_c [5.6879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdTeS]
_chemical_formula_sum '[Cd2 Te2 S2]'
_cell_volume [166.8845]
_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  0.1994  0.0000  0.3654  1
  Te  Te1  2  0.3158  0.5000  0.0219  1
  S  S2  2  0.3836  0.5000  0.6239  1
]