# generated using pymatgen
data_CaScHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.44491090
_cell_length_b   12.44491090
_cell_length_c   12.44491090
_cell_angle_alpha   121.14840034
_cell_angle_beta   119.98035518
_cell_angle_gamma   89.02824498
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaScHg2
_chemical_formula_sum   'Ca1 Sc1 Hg2'
_cell_volume   1350.87251658
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.00000000  0.50000000  0.50000000  1.0
  Hg  Hg2  1  0.00000000  0.25870100  0.25870100  1.0
  Hg  Hg3  1  0.00000000  0.74129900  0.74129900  1.0