data_[Li24Ca10Cd4]
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 [C2/m]
_cell_length_a [16.0358]
_cell_length_b [8.0746]
_cell_length_c [7.5531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li12Ca5Cd2]
_chemical_formula_sum '[Li24 Ca10 Cd4]'
_cell_volume [977.5708]
_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  0.0975  0.3037  0.3330  1
  Li  Li1  8  0.1300  0.1960  0.7665  1
  Li  Li2  4  0.0504  0.5000  0.6707  1
  Li  Li3  4  0.0831  0.0000  0.0857  1
  Ca  Ca4  4  0.2002  0.5000  0.0360  1
  Ca  Ca5  4  0.2417  0.0000  0.4441  1
  Ca  Ca6  2  0.0000  0.0000  0.5000  1
  Cd  Cd7  4  0.0000  0.3155  0.0000  1
]