# generated using pymatgen
data_Nd3Sn3Hg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58584182
_cell_length_b   6.58584192
_cell_length_c   10.34815736
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.00894927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Sn3Hg2
_chemical_formula_sum   'Nd6 Sn6 Hg4'
_cell_volume   437.31451102
_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  0.62662861  0.62662861  0.25000000  1.0
  Nd  Nd1  1  0.37337139  0.37337139  0.75000000  1.0
  Nd  Nd2  1  0.20424993  0.79575007  0.50000000  1.0
  Nd  Nd3  1  0.20424993  0.79575007  0.00000000  1.0
  Nd  Nd4  1  0.79575007  0.20424993  0.50000000  1.0
  Nd  Nd5  1  0.79575007  0.20424993  0.00000000  1.0
  Sn  Sn6  1  0.01608221  0.01608221  0.25000000  1.0
  Sn  Sn7  1  0.98391779  0.98391779  0.75000000  1.0
  Sn  Sn8  1  0.48640725  0.06469173  0.25000000  1.0
  Sn  Sn9  1  0.93530827  0.51359275  0.75000000  1.0
  Sn  Sn10  1  0.51359275  0.93530827  0.75000000  1.0
  Sn  Sn11  1  0.06469173  0.48640725  0.25000000  1.0
  Hg  Hg12  1  0.31298508  0.31298508  0.04327045  1.0
  Hg  Hg13  1  0.68701492  0.68701492  0.95672955  1.0
  Hg  Hg14  1  0.31298508  0.31298508  0.45672955  1.0
  Hg  Hg15  1  0.68701492  0.68701492  0.54327045  1.0