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 [4.8352]
_cell_length_b [4.2935]
_cell_length_c [15.2928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li7Ca3Cd2]
_chemical_formula_sum '[Li7 Ca3 Cd2]'
_cell_volume [313.5458]
_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  0.0821  0.5000  0.1622  1.0
  Li  Li1  2  0.2720  0.5000  0.5451  1.0
  Li  Li2  2  0.4161  0.0000  0.8382  1.0
  Li  Li3  1  0.0000  0.0000  0.0000  1.0
  Ca  Ca4  2  0.1806  0.0000  0.3493  1.0
  Ca  Ca5  1  0.5000  0.5000  0.0000  1.0
  Cd  Cd6  2  0.3541  0.5000  0.7242  1.0
]