data_[K3Cd3Mo6]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.8816]
_cell_length_b [2.8816]
_cell_length_c [33.6155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KCdMo2]
_chemical_formula_sum '[K3 Cd3 Mo6]'
_cell_volume [241.7418]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2518  1
  Cd  Cd1  3  0.0000  0.0000  0.4905  1
  Mo  Mo2  3  0.0000  0.0000  0.0103  1
  Mo  Mo3  3  0.0000  0.0000  0.7474  1
]