data_[K2Cd2Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.4659]
_cell_length_b [6.5822]
_cell_length_c [18.3963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [K2Cd2Se3]
_chemical_formula_sum '[K2 Cd2 Se3]'
_cell_volume [782.9400]
_cell_formula_units_Z [1]
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  1  0.0969  0.0000  0.5979  1
  K  K1  1  0.3206  0.5000  0.4358  1
  Cd  Cd2  2  0.8234  0.2910  0.4565  1
  Se  Se3  2  0.5842  0.1846  0.5700  1
  Se  Se4  1  0.0634  0.0000  0.4133  1
]