# generated using pymatgen
data_Ba3YbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83449785
_cell_length_b   8.25724348
_cell_length_c   7.88236040
_cell_angle_alpha   121.79944443
_cell_angle_beta   62.09135199
_cell_angle_gamma   149.74988552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3YbF6
_chemical_formula_sum   'Ba3 Yb1 F6'
_cell_volume   218.22788677
_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  0.00000000  0.00000000  1.0
  Ba  Ba1  1  0.00000000  0.50000000  0.50000000  1.0
  Ba  Ba2  1  0.00000000  0.00000000  0.50000000  1.0
  Yb  Yb3  1  0.00000000  0.00000000  0.00000000  1.0
  F  F4  1  0.71485433  0.91218404  0.27686849  1.0
  F  F5  1  0.28514567  0.08781596  0.72313151  1.0
  F  F6  1  0.64771704  0.72965348  0.81064913  1.0
  F  F7  1  0.35228296  0.27034652  0.18935087  1.0
  F  F8  1  0.91876156  0.64620991  0.91749548  1.0
  F  F9  1  0.08123844  0.35379009  0.08250452  1.0