# generated using pymatgen
data_Nd7Th(HgIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90316358
_cell_length_b   9.90316384
_cell_length_c   9.92279073
_cell_angle_alpha   59.93441494
_cell_angle_beta   59.93441407
_cell_angle_gamma   59.99376162
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd7Th(HgIr)2
_chemical_formula_sum   'Nd14 Th2 Hg4 Ir4'
_cell_volume   687.40877840
_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  0.60087637  0.19706312  0.60103026  1.0
  Nd  Nd1  1  0.19706312  0.60087637  0.60103026  1.0
  Nd  Nd2  1  0.05982859  0.44166795  0.44045874  1.0
  Nd  Nd3  1  0.44166795  0.05982859  0.05804473  1.0
  Nd  Nd4  1  0.44166795  0.05982859  0.44045874  1.0
  Nd  Nd5  1  0.05982859  0.44166795  0.05804473  1.0
  Nd  Nd6  1  0.44044978  0.44044978  0.05955022  1.0
  Nd  Nd7  1  0.05821393  0.05821393  0.44178607  1.0
  Nd  Nd8  1  0.19027183  0.81072193  0.81167986  1.0
  Nd  Nd9  1  0.81072193  0.19027183  0.18732639  1.0
  Nd  Nd10  1  0.81072193  0.19027183  0.81167986  1.0
  Nd  Nd11  1  0.19027183  0.81072193  0.18732639  1.0
  Nd  Nd12  1  0.81150089  0.81150089  0.18849911  1.0
  Nd  Nd13  1  0.18979887  0.18979887  0.81020113  1.0
  Th  Th14  1  0.59643001  0.59643001  0.59831764  1.0
  Th  Th15  1  0.59643001  0.59643001  0.20882234  1.0
  Hg  Hg16  1  0.83329514  0.83329514  0.83558058  1.0
  Hg  Hg17  1  0.83329514  0.83329514  0.49782813  1.0
  Hg  Hg18  1  0.83270100  0.49732490  0.83498555  1.0
  Hg  Hg19  1  0.49732490  0.83270100  0.83498555  1.0
  Ir  Ir20  1  0.39556722  0.39556722  0.38892967  1.0
  Ir  Ir21  1  0.39556722  0.39556722  0.81993590  1.0
  Ir  Ir22  1  0.39925543  0.81724740  0.39174808  1.0
  Ir  Ir23  1  0.81724740  0.39925543  0.39174808  1.0