data_[Li12In2Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6685]
_cell_length_b [5.6943]
_cell_length_c [10.1433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li6InPd]
_chemical_formula_sum '[Li12 In2 Pd2]'
_cell_volume [269.6504]
_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  4  0.0000  0.2450  0.5782  1.0
  Li  Li1  4  0.5000  0.2338  0.9197  1.0
  Li  Li2  2  0.0000  0.0000  0.3306  1.0
  Li  Li3  2  0.5000  0.0000  0.1667  1.0
  In  In4  2  0.5000  0.0000  0.6744  1.0
  Pd  Pd5  2  0.0000  0.0000  0.8328  1.0
]