# generated using pymatgen
data_Nd3ScHg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34756767
_cell_length_b   8.34756823
_cell_length_c   8.34756882
_cell_angle_alpha   66.17938514
_cell_angle_beta   66.17938290
_cell_angle_gamma   66.17936110
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3ScHg5
_chemical_formula_sum   'Nd6 Sc2 Hg10'
_cell_volume   466.21543225
_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
  Nd  Nd0  1  0.89004111  0.18598935  0.62246448  1.0
  Nd  Nd1  1  0.62246448  0.89004111  0.18598935  1.0
  Nd  Nd2  1  0.18598935  0.62246448  0.89004111  1.0
  Nd  Nd3  1  0.10995889  0.81401065  0.37753552  1.0
  Nd  Nd4  1  0.37753552  0.10995889  0.81401065  1.0
  Nd  Nd5  1  0.81401065  0.37753552  0.10995889  1.0
  Sc  Sc6  1  0.65772415  0.65772415  0.65772415  1.0
  Sc  Sc7  1  0.34227585  0.34227585  0.34227585  1.0
  Hg  Hg8  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg9  1  0.50000000  0.50000000  0.50000000  1.0
  Hg  Hg10  1  0.80527273  0.80527273  0.80527273  1.0
  Hg  Hg11  1  0.19472727  0.19472727  0.19472727  1.0
  Hg  Hg12  1  0.94544764  0.55492646  0.31946137  1.0
  Hg  Hg13  1  0.31946137  0.94544764  0.55492646  1.0
  Hg  Hg14  1  0.55492646  0.31946137  0.94544764  1.0
  Hg  Hg15  1  0.05455236  0.44507354  0.68053863  1.0
  Hg  Hg16  1  0.68053863  0.05455236  0.44507354  1.0
  Hg  Hg17  1  0.44507354  0.68053863  0.05455236  1.0