# generated using pymatgen
data_NdY4(Th3Ir2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89304334
_cell_length_b   10.03466161
_cell_length_c   6.38499676
_cell_angle_alpha   90.26697588
_cell_angle_beta   90.03146979
_cell_angle_gamma   120.24786383
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdY4(Th3Ir2)3
_chemical_formula_sum   'Nd1 Y4 Th9 Ir6'
_cell_volume   547.55362864
_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  0.45814802  0.53361771  0.29889457  1.0
  Y  Y1  1  0.06977614  0.53474505  0.30457272  1.0
  Y  Y2  1  0.92791298  0.46218581  0.80156908  1.0
  Y  Y3  1  0.25509059  0.12710158  0.50435098  1.0
  Y  Y4  1  0.54072783  0.07699471  0.79537177  1.0
  Th  Th5  1  0.74372402  0.87444565  0.00684602  1.0
  Th  Th6  1  0.66421434  0.33022832  0.27185540  1.0
  Th  Th7  1  0.12962980  0.87361064  0.99973676  1.0
  Th  Th8  1  0.45700895  0.92057414  0.30147043  1.0
  Th  Th9  1  0.54170494  0.45969599  0.79446270  1.0
  Th  Th10  1  0.87852983  0.13137215  0.50918825  1.0
  Th  Th11  1  0.12586128  0.25234111  0.00473581  1.0
  Th  Th12  1  0.87544273  0.74502762  0.50248790  1.0
  Th  Th13  1  0.33464695  0.66779958  0.77910203  1.0
  Ir  Ir14  1  0.81279472  0.62649668  0.04722429  1.0
  Ir  Ir15  1  0.81646380  0.18873764  0.05671027  1.0
  Ir  Ir16  1  0.62849566  0.82079191  0.55195045  1.0
  Ir  Ir17  1  0.37373127  0.18879460  0.03628038  1.0
  Ir  Ir18  1  0.17965606  0.37590136  0.56441212  1.0
  Ir  Ir19  1  0.18644009  0.80953476  0.55277707  1.0