data_[Li36Ca8Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [14.1875]
_cell_length_b [8.7957]
_cell_length_c [9.8744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li9Ca2Cd3]
_chemical_formula_sum '[Li36 Ca8 Cd12]'
_cell_volume [1232.2284]
_cell_formula_units_Z [4]
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
[
  Li  Li0  16  0.1659  0.1829  0.0847  1
  Li  Li1  8  0.0000  0.3410  0.5196  1
  Li  Li2  8  0.1026  0.4647  0.2500  1
  Li  Li3  4  0.0000  0.1659  0.2500  1
  Ca  Ca4  8  0.1495  0.1547  0.7500  1
  Cd  Cd5  8  0.1859  0.5000  0.0000  1
  Cd  Cd6  4  0.0000  0.0000  0.0000  1
]