data_[K2Er2Cd2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5839]
_cell_length_b [4.1032]
_cell_length_c [10.0196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KErCdS3]
_chemical_formula_sum '[K2 Er2 Cd2 S6]'
_cell_volume [335.9320]
_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  0.2110  0.2500  0.2183  1.0
  Er  Er1  2  0.3317  0.7500  0.8660  1.0
  Cd  Cd2  2  0.0847  0.2500  0.6123  1.0
  S  S3  2  0.1133  0.2500  0.8675  1.0
  S  S4  2  0.2289  0.7500  0.5525  1.0
  S  S5  2  0.4616  0.7500  0.1430  1.0
]