data_[Li2Ca16Cd4]
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 [19.2004]
_cell_length_b [5.3939]
_cell_length_c [7.8506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(Ca4Cd)2]
_chemical_formula_sum '[Li2 Ca16 Cd4]'
_cell_volume [774.7093]
_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  2  0.0000  0.5000  0.0000  1.0
  Ca  Ca1  4  0.0287  0.0000  0.7746  1.0
  Ca  Ca2  4  0.0975  0.5000  0.4678  1.0
  Ca  Ca3  4  0.1707  0.5000  0.9586  1.0
  Ca  Ca4  4  0.1945  0.0000  0.2974  1.0
  Cd  Cd5  4  0.1851  0.0000  0.6991  1.0
]