# generated using pymatgen
data_MnHg2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16447239
_cell_length_b   4.16447239
_cell_length_c   10.12669500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHg2S3
_chemical_formula_sum   'Mn1 Hg2 S3'
_cell_volume   152.09618092
_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  0.33333300  0.66666700  0.66337700  1.0
  Hg  Hg1  1  0.00000000  0.00000000  0.99512700  1.0
  Hg  Hg2  1  0.66666700  0.33333300  0.34270900  1.0
  S  S3  1  0.00000000  0.00000000  0.24915500  1.0
  S  S4  1  0.66666700  0.33333300  0.59954700  1.0
  S  S5  1  0.33333300  0.66666700  0.90008600  1.0