data_[Sr4Li2I2Br8]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4606]
_cell_length_b [4.3227]
_cell_length_c [10.5756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2LiIBr4]
_chemical_formula_sum '[Sr4 Li2 I2 Br8]'
_cell_volume [545.1251]
_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
[
  Sr  Sr0  4  0.1805  0.0000  0.7573  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  I  I2  2  0.0000  0.5000  0.5000  1.0
  Br  Br3  4  0.1146  0.5000  0.9254  1.0
  Br  Br4  4  0.1651  0.0000  0.2572  1.0
]