# generated using pymatgen
data_CrHg3F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50979888
_cell_length_b   8.00404238
_cell_length_c   12.20073755
_cell_angle_alpha   77.85716507
_cell_angle_beta   110.85998804
_cell_angle_gamma   111.33076685
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrHg3F6
_chemical_formula_sum   'Cr1 Hg3 F6'
_cell_volume   466.32593251
_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
  Cr  Cr0  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg1  1  0.00000000  0.00000000  0.50000000  1.0
  Hg  Hg2  1  0.50000000  0.50000000  0.00000000  1.0
  Hg  Hg3  1  0.00000000  0.50000000  0.00000000  1.0
  F  F4  1  0.94388600  0.19641500  0.89649500  1.0
  F  F5  1  0.05611400  0.80358500  0.10350500  1.0
  F  F6  1  0.92423000  0.96848200  0.65065800  1.0
  F  F7  1  0.07577000  0.03151800  0.34934200  1.0
  F  F8  1  0.69465200  0.84499000  0.90497200  1.0
  F  F9  1  0.30534800  0.15501000  0.09502800  1.0