data_[Li4Ca4Cd4]
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 [11.3061]
_cell_length_b [4.8814]
_cell_length_c [7.8164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.8369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCaCd]
_chemical_formula_sum '[Li4 Ca4 Cd4]'
_cell_volume [316.3311]
_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  4  0.1617  0.5000  0.7440  1.0
  Ca  Ca1  4  0.0548  0.0000  0.2964  1.0
  Cd  Cd2  4  0.1753  0.5000  0.1276  1.0
]