# generated using pymatgen
data_MnHgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06531907
_cell_length_b   7.06531907
_cell_length_c   7.06531915
_cell_angle_alpha   33.89974103
_cell_angle_beta   33.89974103
_cell_angle_gamma   33.89973971
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHgS2
_chemical_formula_sum   'Mn1 Hg1 S2'
_cell_volume   97.77991696
_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
  Mn  Mn0  1  0.49839900  0.49839900  0.49839900  1.0
  Hg  Hg1  1  0.00218500  0.00218500  0.00218500  1.0
  S  S2  1  0.13119900  0.13119900  0.13119900  1.0
  S  S3  1  0.61821800  0.61821800  0.61821800  1.0