data_[K2Ca2Cd2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.4409]
_cell_length_b [5.4456]
_cell_length_c [7.8185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [KCaCdS2]
_chemical_formula_sum '[K2 Ca2 Cd2 S4]'
_cell_volume [312.7659]
_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
[
  K  K0  2  0.5000  0.1911  0.2500  1
  Ca  Ca1  2  0.0000  0.4929  0.7500  1
  Cd  Cd2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.2393  0.3404  0.5348  1
]