# generated using pymatgen
data_Sc3Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46465973
_cell_length_b   4.46464521
_cell_length_c   4.46464728
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Hg
_chemical_formula_sum   'Sc3 Hg1'
_cell_volume   88.99435748
_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  0.50000000  0.50000000  1.0
  Sc  Sc1  1  0.50000000  0.00000000  0.50000000  1.0
  Sc  Sc2  1  0.50000000  0.50000000  -0.00000000  1.0
  Hg  Hg3  1  0.00000000  -0.00000000  -0.00000000  1.0