data_[Sr4Li4In8Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4974]
_cell_length_b [19.1548]
_cell_length_c [14.3310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SrLiIn2Br5]
_chemical_formula_sum '[Sr4 Li4 In8 Br20]'
_cell_volume [1234.5677]
_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
[
  Sr  Sr0  4  0.0000  0.2036  0.0334  1.0
  Li  Li1  4  0.0000  0.4478  0.4282  1.0
  In  In2  4  0.0000  0.0906  0.6670  1.0
  In  In3  4  0.0000  0.1254  0.3324  1.0
  Br  Br4  4  0.0000  0.0416  0.0182  1.0
  Br  Br5  4  0.0000  0.2857  0.6771  1.0
  Br  Br6  4  0.0000  0.3142  0.3895  1.0
  Br  Br7  4  0.0000  0.3614  0.0057  1.0
  Br  Br8  4  0.0000  0.4922  0.7725  1.0
]