# generated using pymatgen
data_Nd6Hg7Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33725958
_cell_length_b   8.33725947
_cell_length_c   8.33726028
_cell_angle_alpha   113.25165295
_cell_angle_beta   113.25165501
_cell_angle_gamma   113.25165997
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6Hg7Ir
_chemical_formula_sum   'Nd6 Hg7 Ir1'
_cell_volume   370.81445946
_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  0.75283633  0.63344455  0.99510254  1.0
  Nd  Nd1  1  0.99510254  0.75283633  0.63344455  1.0
  Nd  Nd2  1  0.63344455  0.99510254  0.75283633  1.0
  Nd  Nd3  1  0.24716367  0.36655545  0.00489746  1.0
  Nd  Nd4  1  0.00489746  0.24716367  0.36655545  1.0
  Nd  Nd5  1  0.36655545  0.00489746  0.24716367  1.0
  Hg  Hg6  1  0.59845192  0.26656853  0.10879094  1.0
  Hg  Hg7  1  0.10879094  0.59845192  0.26656853  1.0
  Hg  Hg8  1  0.26656853  0.10879094  0.59845192  1.0
  Hg  Hg9  1  0.40154808  0.73343147  0.89120906  1.0
  Hg  Hg10  1  0.89120906  0.40154808  0.73343147  1.0
  Hg  Hg11  1  0.73343147  0.89120906  0.40154808  1.0
  Hg  Hg12  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir13  1  0.00000000  0.00000000  0.00000000  1.0