data_[K2Tm2Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6865]
_cell_length_b [3.6865]
_cell_length_c [17.8044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [KTmCd]
_chemical_formula_sum '[K2 Tm2 Cd2]'
_cell_volume [209.5454]
_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  0.3333  0.6667  0.3314  1
  Tm  Tm1  2  0.0000  0.0000  0.1325  1
  Cd  Cd2  1  0.0000  0.0000  0.5000  1
  Cd  Cd3  1  0.3333  0.6667  0.0000  1
]