# generated using pymatgen
data_Nd3Hg5Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18133062
_cell_length_b   8.18133207
_cell_length_c   3.83878342
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999800
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Hg5Ir
_chemical_formula_sum   'Nd3 Hg5 Ir1'
_cell_volume   222.52162058
_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
  Nd  Nd0  1  0.61569050  0.03433062  0.00000000  1.0
  Nd  Nd1  1  0.96566938  0.58135988  0.00000000  1.0
  Nd  Nd2  1  0.41864012  0.38430950  0.00000000  1.0
  Hg  Hg3  1  0.27918160  0.99872259  0.50000000  1.0
  Hg  Hg4  1  0.00127741  0.28045701  0.50000000  1.0
  Hg  Hg5  1  0.71954299  0.72081840  0.50000000  1.0
  Hg  Hg6  1  0.33333300  0.66666700  0.50000000  1.0
  Hg  Hg7  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir8  1  0.66666700  0.33333300  0.50000000  1.0