# generated using pymatgen
data_TaHg3F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13064011
_cell_length_b   5.13064011
_cell_length_c   7.49494630
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998596
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaHg3F6
_chemical_formula_sum   'Ta1 Hg3 F6'
_cell_volume   170.86075575
_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
  Ta  Ta0  1  -0.00000000  0.00000000  0.50000000  1.0
  Hg  Hg1  1  0.66666700  0.33333300  -0.00000000  1.0
  Hg  Hg2  1  0.33333300  0.66666700  -0.00000000  1.0
  Hg  Hg3  1  -0.00000000  0.00000000  -0.00000000  1.0
  F  F4  1  0.30078498  0.30078498  0.34833091  1.0
  F  F5  1  0.69921502  0.69921502  0.65166909  1.0
  F  F6  1  0.69921502  -0.00000000  0.34833091  1.0
  F  F7  1  0.30078498  0.00000000  0.65166909  1.0
  F  F8  1  -0.00000000  0.69921502  0.34833091  1.0
  F  F9  1  0.00000000  0.30078498  0.65166909  1.0