data_[Li1In15Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0399]
_cell_length_b [5.0399]
_cell_length_c [22.1312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiIn15Bi4]
_chemical_formula_sum '[Li1 In15 Bi4]'
_cell_volume [562.1435]
_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  0.0000  0.0000  0.0000  1
  In  In1  4  0.0000  0.5000  0.0876  1
  In  In2  4  0.0000  0.5000  0.2920  1
  In  In3  2  0.0000  0.5000  0.5000  1
  In  In4  2  0.5000  0.5000  0.1952  1
  In  In5  2  0.5000  0.5000  0.3971  1
  In  In6  1  0.5000  0.5000  0.0000  1
  Bi  Bi7  2  0.0000  0.0000  0.1818  1
  Bi  Bi8  2  0.0000  0.0000  0.3925  1
]