# generated using pymatgen
data_Li3TaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23558091
_cell_length_b   6.01295640
_cell_length_c   7.49121021
_cell_angle_alpha   65.85754579
_cell_angle_beta   129.20023946
_cell_angle_gamma   124.00746087
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3TaF6
_chemical_formula_sum   'Li3 Ta1 F6'
_cell_volume   179.76065488
_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  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Li  Li2  1  0.00000000  0.50000000  0.00000000  1
  Ta  Ta3  1  0.00000000  0.00000000  0.00000000  1
  F  F4  1  0.80244700  0.24617100  0.76993000  1
  F  F5  1  0.19755300  0.75382900  0.23007000  1
  F  F6  1  0.09717400  0.00844200  0.77737000  1
  F  F7  1  0.90282600  0.99155800  0.22263000  1
  F  F8  1  0.69151400  0.62390100  0.84479600  1
  F  F9  1  0.30848600  0.37609900  0.15520400  1
