data_[Li12In12Ga4]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.7863]
_cell_length_b [4.4597]
_cell_length_c [12.0704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Li3In3Ga]
_chemical_formula_sum '[Li12 In12 Ga4]'
_cell_volume [580.6323]
_cell_formula_units_Z [4]
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  0.0252  0.2500  0.5929  1
  Li  Li1  4  0.1038  0.7500  0.0046  1
  Li  Li2  4  0.1855  0.7500  0.2143  1
  In  In3  4  0.0993  0.2500  0.8313  1
  In  In4  4  0.1692  0.2500  0.3746  1
  In  In5  4  0.1978  0.7500  0.5619  1
  Ga  Ga6  4  0.0623  0.2500  0.1585  1
]