data_[Li5Th1In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.2906]
_cell_length_b [3.5506]
_cell_length_c [17.6769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Li5ThIn4]
_chemical_formula_sum '[Li5 Th1 In4]'
_cell_volume [206.5321]
_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  2  0.5000  0.5000  0.1307  1
  Li  Li1  2  0.5000  0.5000  0.3124  1
  Li  Li2  1  0.5000  0.5000  0.5000  1
  Th  Th3  1  0.0000  0.0000  0.0000  1
  In  In4  2  0.0000  0.0000  0.2127  1
  In  In5  2  0.0000  0.0000  0.4067  1
]