data_[Li10Ca8Cd2]
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 [I4mm]
_cell_length_a [10.2224]
_cell_length_b [10.2224]
_cell_length_c [5.5777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Li5Ca4Cd]
_chemical_formula_sum '[Li10 Ca8 Cd2]'
_cell_volume [582.8643]
_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
[
  Li  Li0  8  0.1717  0.8283  0.0461  1
  Li  Li1  2  0.0000  0.0000  0.2925  1
  Ca  Ca2  8  0.0000  0.2978  0.5560  1
  Cd  Cd3  2  0.0000  0.0000  0.7888  1
]