data_[Li7Ca3Cd2]
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 [P2/m]
_cell_length_a [4.7493]
_cell_length_b [4.2695]
_cell_length_c [15.5002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li7Ca3Cd2]
_chemical_formula_sum '[Li7 Ca3 Cd2]'
_cell_volume [311.1025]
_cell_formula_units_Z [1]
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  0.0776  0.5000  0.1622  1
  Li  Li1  2  0.2731  0.5000  0.5457  1
  Li  Li2  2  0.4213  0.0000  0.8383  1
  Li  Li3  1  0.0000  0.0000  0.0000  1
  Ca  Ca4  2  0.1683  0.0000  0.3492  1
  Ca  Ca5  1  0.5000  0.5000  0.0000  1
  Cd  Cd6  2  0.3687  0.5000  0.7239  1
]