data_[Li3Ca2Cd1]
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 [Pmm2]
_cell_length_a [3.8484]
_cell_length_b [4.9802]
_cell_length_c [8.7339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Li3Ca2Cd]
_chemical_formula_sum '[Li3 Ca2 Cd1]'
_cell_volume [167.3935]
_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  1  0.5000  0.0000  0.1686  1.0
  Li  Li1  1  0.5000  0.0000  0.8324  1.0
  Li  Li2  1  0.5000  0.5000  0.6639  1.0
  Ca  Ca3  1  0.0000  0.0000  0.4849  1.0
  Ca  Ca4  1  0.0000  0.5000  0.0154  1.0
  Cd  Cd5  1  0.5000  0.5000  0.3349  1.0
]