# generated using pymatgen
data_ScCuHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.81971542
_cell_length_b   11.81971542
_cell_length_c   11.81971542
_cell_angle_alpha   123.95261813
_cell_angle_beta   123.90321261
_cell_angle_gamma   83.32145818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuHg2
_chemical_formula_sum   'Sc1 Cu1 Hg2'
_cell_volume   1090.18851565
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.50000000  0.00000000  0.50000000  1.0
  Hg  Hg2  1  0.73275100  0.00000000  0.73275100  1.0
  Hg  Hg3  1  0.26724900  0.00000000  0.26724900  1.0