# generated using pymatgen
data_Ba2Cl2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31076400
_cell_length_b   6.31076400
_cell_length_c   14.33356400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cl2F
_chemical_formula_sum   'Ba2 Cl2 F1'
_cell_volume   570.84482558
_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  0.50000000  0.50000000  0.17467900  1.0
  Ba  Ba1  1  0.50000000  0.50000000  0.82532100  1.0
  Cl  Cl2  1  0.50000000  0.50000000  0.63566700  1.0
  Cl  Cl3  1  0.50000000  0.50000000  0.36433300  1.0
  F  F4  1  0.50000000  0.50000000  0.00000000  1.0