# generated using pymatgen
data_Hg2TeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77131192
_cell_length_b   7.77131192
_cell_length_c   7.77131159
_cell_angle_alpha   33.55270502
_cell_angle_beta   33.55270502
_cell_angle_gamma   33.55269691
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2TeS
_chemical_formula_sum   'Hg2 Te1 S1'
_cell_volume   127.70488816
_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
  Hg  Hg0  1  0.99171700  0.99171700  0.99171700  1.0
  Hg  Hg1  1  0.50710700  0.50710700  0.50710700  1.0
  Te  Te2  1  0.37672200  0.37672200  0.37672200  1.0
  S  S3  1  0.87445400  0.87445400  0.87445400  1.0