data_[K3Mg3Cd51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.1947]
_cell_length_b [10.1947]
_cell_length_c [15.4803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KMgCd17]
_chemical_formula_sum '[K3 Mg3 Cd51]'
_cell_volume [1393.3602]
_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  0.3304  1
  Mg  Mg1  3  0.0000  0.0000  0.6949  1
  Cd  Cd2  18  0.0385  0.3710  0.6642  1
  Cd  Cd3  9  0.1804  0.3608  0.4669  1
  Cd  Cd4  9  0.1852  0.3705  0.8375  1
  Cd  Cd5  9  0.2213  0.1106  0.5328  1
  Cd  Cd6  3  0.0000  0.0000  0.0858  1
  Cd  Cd7  3  0.0000  0.0000  0.8923  1
]