data_[Ba2Se2F10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0725]
_cell_length_b [9.1090]
_cell_length_c [7.0232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaSeF5]
_chemical_formula_sum '[Ba2 Se2 F10]'
_cell_volume [324.5076]
_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  0.0000  0.0000  0.0783  1
  Se  Se1  2  0.0000  0.5000  0.0424  1
  F  F2  4  0.0000  0.2873  0.0530  1
  F  F3  4  0.2358  0.5000  0.2635  1
  F  F4  2  0.0000  0.5000  0.7155  1
]