# generated using pymatgen
data_NbHg3F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12658590
_cell_length_b   5.12658563
_cell_length_c   7.51629917
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000176
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg3F6
_chemical_formula_sum   'Nb1 Hg3 F6'
_cell_volume   171.07680716
_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
  Nb  Nb0  1  -0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg1  1  -0.00000000  0.00000000  0.50000000  1.0
  Hg  Hg2  1  0.33333300  0.66666700  0.50000000  1.0
  Hg  Hg3  1  0.66666700  0.33333300  0.50000000  1.0
  F  F4  1  0.30320210  0.00000000  0.15314289  1.0
  F  F5  1  -0.00000000  0.30320210  0.15314289  1.0
  F  F6  1  0.69679790  0.69679790  0.15314289  1.0
  F  F7  1  0.00000000  0.69679790  0.84685711  1.0
  F  F8  1  0.69679790  0.00000000  0.84685711  1.0
  F  F9  1  0.30320210  0.30320210  0.84685711  1.0