# generated using pymatgen
data_ScHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42978910
_cell_length_b   6.42978837
_cell_length_c   4.83471501
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScHg3
_chemical_formula_sum   'Sc2 Hg6'
_cell_volume   173.09914561
_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
  Sc  Sc0  1  0.66666700  0.33333300  0.75000000  1.0
  Sc  Sc1  1  0.33333300  0.66666700  0.25000000  1.0
  Hg  Hg2  1  0.66140179  0.83070140  0.75000000  1.0
  Hg  Hg3  1  0.33859821  0.16929860  0.25000000  1.0
  Hg  Hg4  1  0.83070140  0.16929860  0.25000000  1.0
  Hg  Hg5  1  0.16929860  0.33859821  0.75000000  1.0
  Hg  Hg6  1  0.16929860  0.83070140  0.75000000  1.0
  Hg  Hg7  1  0.83070140  0.66140179  0.25000000  1.0