data_[Li28Cd2In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.6883]
_cell_length_b [6.6648]
_cell_length_c [9.5354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li14CdIn]
_chemical_formula_sum '[Li28 Cd2 In2]'
_cell_volume [615.7022]
_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  8  0.2555  0.2427  0.1194  1
  Li  Li1  4  0.0000  0.2410  0.8955  1
  Li  Li2  4  0.2556  0.0000  0.3772  1
  Li  Li3  4  0.2615  0.0000  0.8616  1
  Li  Li4  4  0.5000  0.2454  0.3650  1
  Li  Li5  2  0.0000  0.0000  0.1529  1
  Li  Li6  2  0.0000  0.0000  0.6414  1
  Cd  Cd7  2  0.5000  0.0000  0.1131  1
  In  In8  2  0.5000  0.0000  0.6167  1
]