data_[Li4In8Sn4Br20]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3987]
_cell_length_b [19.1638]
_cell_length_c [14.3076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiIn2SnBr5]
_chemical_formula_sum '[Li4 In8 Sn4 Br20]'
_cell_volume [1206.0740]
_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  0.0000  0.4462  0.4332  1.0
  In  In1  4  0.0000  0.0899  0.6675  1.0
  In  In2  4  0.0000  0.1285  0.3230  1.0
  Sn  Sn3  4  0.0000  0.2054  0.0316  1.0
  Br  Br4  4  0.0000  0.0422  0.0258  1.0
  Br  Br5  4  0.0000  0.2844  0.6757  1.0
  Br  Br6  4  0.0000  0.3138  0.3881  1.0
  Br  Br7  4  0.0000  0.3567  0.0019  1.0
  Br  Br8  4  0.0000  0.4933  0.7771  1.0
]