# generated using pymatgen
data_BaTiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91211038
_cell_length_b   4.91210972
_cell_length_c   4.91211000
_cell_angle_alpha   97.90869672
_cell_angle_beta   97.90868708
_cell_angle_gamma   97.90868323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiF6
_chemical_formula_sum   'Ba1 Ti1 F6'
_cell_volume   114.79000509
_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  -0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.50000000  0.50000000  1.0
  F  F2  1  0.42298831  0.77290078  0.77290078  1.0
  F  F3  1  0.77290078  0.77290078  0.42298831  1.0
  F  F4  1  0.57701169  0.22709922  0.22709922  1.0
  F  F5  1  0.22709922  0.57701169  0.22709922  1.0
  F  F6  1  0.22709922  0.22709922  0.57701169  1.0
  F  F7  1  0.77290078  0.42298831  0.77290078  1.0