# generated using pymatgen
data_NdHg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77241467
_cell_length_b   6.77242197
_cell_length_c   5.00963517
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99997959
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdHg3
_chemical_formula_sum   'Nd2 Hg6'
_cell_volume   198.98684772
_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  0.33333300  0.66666600  0.75000000  1.0
  Nd  Nd1  1  0.66666800  0.33333400  0.25000000  1.0
  Hg  Hg2  1  0.83800007  0.16199793  0.75000000  1.0
  Hg  Hg3  1  0.32399986  0.16199793  0.75000000  1.0
  Hg  Hg4  1  0.83800007  0.67600014  0.75000000  1.0
  Hg  Hg5  1  0.16199993  0.83800207  0.25000000  1.0
  Hg  Hg6  1  0.67600114  0.83800207  0.25000000  1.0
  Hg  Hg7  1  0.16199993  0.32399986  0.25000000  1.0