# generated using pymatgen
data_TmTh3P7Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98345820
_cell_length_b   12.67913976
_cell_length_c   13.15464799
_cell_angle_alpha   81.88518666
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmTh3P7Ir8
_chemical_formula_sum   'Tm2 Th6 P14 Ir16'
_cell_volume   657.74697910
_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
  Tm  Tm0  1  0.75000000  0.79250201  0.55925772  1.0
  Tm  Tm1  1  0.25000000  0.20749799  0.44074228  1.0
  Th  Th2  1  0.75000000  0.48390989  0.70810242  1.0
  Th  Th3  1  0.25000000  0.51609011  0.29189758  1.0
  Th  Th4  1  0.75000000  0.71625936  0.90239148  1.0
  Th  Th5  1  0.25000000  0.10608382  0.79228272  1.0
  Th  Th6  1  0.75000000  0.89391618  0.20771728  1.0
  Th  Th7  1  0.25000000  0.28374064  0.09760852  1.0
  P  P8  1  0.25000000  0.90838324  0.41447953  1.0
  P  P9  1  0.75000000  0.46964148  0.12754754  1.0
  P  P10  1  0.25000000  0.53035852  0.87245246  1.0
  P  P11  1  0.75000000  0.09161676  0.58552047  1.0
  P  P12  1  0.25000000  0.74634065  0.08478202  1.0
  P  P13  1  0.75000000  0.25365935  0.91521798  1.0
  P  P14  1  0.75000000  0.15559580  0.28626006  1.0
  P  P15  1  0.25000000  0.84440420  0.71373994  1.0
  P  P16  1  0.25000000  0.05536250  0.09970370  1.0
  P  P17  1  0.75000000  0.94463750  0.90029630  1.0
  P  P18  1  0.25000000  0.31410451  0.68530350  1.0
  P  P19  1  0.75000000  0.68589549  0.31469650  1.0
  P  P20  1  0.25000000  0.61387199  0.56181554  1.0
  P  P21  1  0.75000000  0.38612801  0.43818446  1.0
  Ir  Ir22  1  0.25000000  0.98842798  0.57497553  1.0
  Ir  Ir23  1  0.75000000  0.01157202  0.42502447  1.0
  Ir  Ir24  1  0.25000000  0.66426967  0.72690761  1.0
  Ir  Ir25  1  0.75000000  0.33573033  0.27309239  1.0
  Ir  Ir26  1  0.25000000  0.55112856  0.04813010  1.0
  Ir  Ir27  1  0.75000000  0.44887144  0.95186990  1.0
  Ir  Ir28  1  0.25000000  0.06011327  0.27586291  1.0
  Ir  Ir29  1  0.75000000  0.93988673  0.72413709  1.0
  Ir  Ir30  1  0.25000000  0.42272874  0.52593086  1.0
  Ir  Ir31  1  0.75000000  0.57727126  0.47406914  1.0
  Ir  Ir32  1  0.25000000  0.91778489  0.99753561  1.0
  Ir  Ir33  1  0.75000000  0.08221511  0.00246439  1.0
  Ir  Ir34  1  0.25000000  0.73037619  0.40010416  1.0
  Ir  Ir35  1  0.75000000  0.26962381  0.59989584  1.0
  Ir  Ir36  1  0.25000000  0.34062172  0.85827246  1.0
  Ir  Ir37  1  0.75000000  0.65937828  0.14172754  1.0