data_[Ba1Li2Zr1Br8]
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
  Zr  1.3300  1.5500  0.8600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6230]
_cell_length_b [6.7724]
_cell_length_c [9.1987]
_cell_angle_alpha [89.0519]
_cell_angle_beta [89.0240]
_cell_angle_gamma [82.6493]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaLi2ZrBr8]
_chemical_formula_sum '[Ba1 Li2 Zr1 Br8]'
_cell_volume [409.0969]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  2  0.4922  0.4953  0.6906  1.0
  Zr  Zr2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.2186  0.2889  0.9944  1.0
  Br  Br4  2  0.2435  0.8162  0.2075  1.0
  Br  Br5  2  0.2452  0.8177  0.7911  1.0
  Br  Br6  2  0.2982  0.3385  0.4983  1.0
]