# generated using pymatgen
data_NbHg2F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54054153
_cell_length_b   7.54054153
_cell_length_c   7.99547377
_cell_angle_alpha   63.12754124
_cell_angle_beta   63.12754124
_cell_angle_gamma   90.14117717
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2F6
_chemical_formula_sum   'Nb2 Hg4 F12'
_cell_volume   349.30980762
_cell_formula_units_Z   2
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  0.37519000  0.62481000  0.25000000  1.0
  Nb  Nb1  1  0.62481000  0.37519000  0.75000000  1.0
  Hg  Hg2  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg3  1  0.00000000  0.00000000  0.50000000  1.0
  Hg  Hg4  1  0.00000000  0.50000000  0.00000000  1.0
  Hg  Hg5  1  0.50000000  0.00000000  0.50000000  1.0
  F  F6  1  0.55546300  0.80535400  0.25391900  1.0
  F  F7  1  0.19309100  0.80690900  0.25000000  1.0
  F  F8  1  0.52890200  0.78136900  0.93578200  1.0
  F  F9  1  0.78136900  0.52890200  0.43578200  1.0
  F  F10  1  0.55671000  0.44329000  0.25000000  1.0
  F  F11  1  0.19464600  0.44453700  0.24608100  1.0
  F  F12  1  0.80535400  0.55546300  0.75391900  1.0
  F  F13  1  0.44329000  0.55671000  0.75000000  1.0
  F  F14  1  0.21863100  0.47109800  0.56421800  1.0
  F  F15  1  0.47109800  0.21863100  0.06421800  1.0
  F  F16  1  0.80690900  0.19309100  0.75000000  1.0
  F  F17  1  0.44453700  0.19464600  0.74608100  1.0