data_[Ba2Li2In2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/m]
_cell_length_a [7.3354]
_cell_length_b [7.4957]
_cell_length_c [9.2979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLiInBr4]
_chemical_formula_sum '[Ba2 Li2 In2 Br8]'
_cell_volume [481.5743]
_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
[
  Ba  Ba0  2  0.2596  0.2500  0.0652  1.0
  Li  Li1  2  0.2454  0.7500  0.3071  1.0
  In  In2  2  0.2099  0.2500  0.5388  1.0
  Br  Br3  4  0.0067  0.0011  0.2229  1.0
  Br  Br4  2  0.4373  0.7500  0.5868  1.0
  Br  Br5  2  0.4400  0.7500  0.1262  1.0
]