# generated using pymatgen
data_LiTaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42144189
_cell_length_b   5.42144189
_cell_length_c   5.42144257
_cell_angle_alpha   56.94660076
_cell_angle_beta   56.94660080
_cell_angle_gamma   56.94660633
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaF6
_chemical_formula_sum   'Li1 Ta1 F6'
_cell_volume   104.74056137
_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
  Li  Li0  1  0.50000000  0.50000000  0.50000000  1
  Ta  Ta1  1  -0.00000000  0.00000000  -0.00000000  1
  F  F2  1  0.35032903  0.13902619  0.75460935  1
  F  F3  1  0.75460935  0.35032903  0.13902619  1
  F  F4  1  0.13902619  0.75460935  0.35032903  1
  F  F5  1  0.64967097  0.86097381  0.24539065  1
  F  F6  1  0.24539065  0.64967097  0.86097381  1
  F  F7  1  0.86097381  0.24539065  0.64967097  1
