# generated using pymatgen
data_ScPaNi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43268286
_cell_length_b   7.14385770
_cell_length_c   3.40100918
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPaNi2Hg
_chemical_formula_sum   'Sc2 Pa2 Ni4 Hg2'
_cell_volume   180.58688265
_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  0.82631597  0.66918436  0.50000000  1.0
  Sc  Sc1  1  0.32631597  0.83081564  0.50000000  1.0
  Pa  Pa2  1  0.67416566  0.16559560  0.50000000  1.0
  Pa  Pa3  1  0.17416566  0.33440440  0.50000000  1.0
  Ni  Ni4  1  0.87480963  0.35923619  0.00000000  1.0
  Ni  Ni5  1  0.37480963  0.14076381  0.00000000  1.0
  Ni  Ni6  1  0.61897409  0.89335666  0.00000000  1.0
  Ni  Ni7  1  0.11897409  0.60664334  0.00000000  1.0
  Hg  Hg8  1  0.00573466  0.97563992  0.00000000  1.0
  Hg  Hg9  1  0.50573466  0.52436008  0.00000000  1.0