data_[Ba1Sr2V1F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.3341]
_cell_length_b [8.0542]
_cell_length_c [5.7535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaSr2VF8]
_chemical_formula_sum '[Ba1 Sr2 V1 F8]'
_cell_volume [200.1425]
_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  0.2323  0.5000  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0419  0.2155  0.7569  1.0
  F  F4  2  0.4197  0.0000  0.2284  1.0
  F  F5  2  0.4846  0.5000  0.7330  1.0
]