data_[Ba1Sr2V1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  V  1.6300  1.3500  0.7775
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8452]
_cell_length_b [9.1832]
_cell_length_c [7.0163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaSr2VBr8]
_chemical_formula_sum '[Ba1 Sr2 V1 Br8]'
_cell_volume [441.0479]
_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  0.5000  0.0000  1.0
  Sr  Sr1  2  0.5000  0.2327  0.5000  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2225  0.2092  0.1531  1.0
  Br  Br4  2  0.2390  0.0000  0.6890  1.0
  Br  Br5  2  0.2680  0.5000  0.6304  1.0
]