data_[Li10La6In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.9495]
_cell_length_b [14.5801]
_cell_length_c [9.4130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Li5(LaIn2)3]
_chemical_formula_sum '[Li10 La6 In12]'
_cell_volume [679.2758]
_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  0.1374  0.4536  1
  Li  Li1  4  0.0000  0.3449  0.1059  1
  Li  Li2  2  0.0000  0.0000  0.2416  1
  La  La3  4  0.0000  0.2858  0.7467  1
  La  La4  2  0.0000  0.0000  0.7554  1
  In  In5  4  0.0000  0.1466  0.0405  1
  In  In6  4  0.0000  0.3463  0.3912  1
  In  In7  2  0.0000  0.5000  0.5907  1
  In  In8  2  0.0000  0.5000  0.9271  1
]