# generated using pymatgen
data_Ba2CuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31019750
_cell_length_b   8.31019750
_cell_length_c   8.31019750
_cell_angle_alpha   150.92282421
_cell_angle_beta   150.92282421
_cell_angle_gamma   41.58846165
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CuF6
_chemical_formula_sum   'Ba2 Cu1 F6'
_cell_volume   135.23819784
_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  0.14743559  0.14743559  -0.00000000  1.0
  Ba  Ba1  1  0.85256441  0.85256441  0.00000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.00000000  1.0
  F  F3  1  0.38031972  0.38031972  0.00000000  1.0
  F  F4  1  -0.00000000  0.50000000  0.50000000  1.0
  F  F5  1  0.50000000  -0.00000000  0.50000000  1.0
  F  F6  1  0.61968028  0.61968028  -0.00000000  1.0
  F  F7  1  0.25000000  0.75000000  0.50000000  1.0
  F  F8  1  0.75000000  0.25000000  0.50000000  1.0