# generated using pymatgen
data_Tm5Th3(P7Ir8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93873987
_cell_length_b   12.66314629
_cell_length_c   13.00859548
_cell_angle_alpha   81.50069138
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm5Th3(P7Ir8)2
_chemical_formula_sum   'Tm5 Th3 P14 Ir16'
_cell_volume   641.70196994
_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
  Tm  Tm0  1  0.75000000  0.79118773  0.56058385  1.0
  Tm  Tm1  1  0.25000000  0.20825488  0.44046245  1.0
  Tm  Tm2  1  0.75000000  0.48165368  0.70886671  1.0
  Tm  Tm3  1  0.25000000  0.52108098  0.29249896  1.0
  Tm  Tm4  1  0.75000000  0.71609483  0.90152334  1.0
  Th  Th5  1  0.25000000  0.10857085  0.78894095  1.0
  Th  Th6  1  0.75000000  0.89132953  0.21230149  1.0
  Th  Th7  1  0.25000000  0.28278825  0.10028744  1.0
  P  P8  1  0.25000000  0.90603195  0.41385198  1.0
  P  P9  1  0.75000000  0.47255280  0.12880679  1.0
  P  P10  1  0.25000000  0.53162193  0.87005351  1.0
  P  P11  1  0.75000000  0.09390762  0.58725878  1.0
  P  P12  1  0.25000000  0.74266330  0.08104444  1.0
  P  P13  1  0.75000000  0.25317271  0.91410721  1.0
  P  P14  1  0.75000000  0.15806220  0.28589769  1.0
  P  P15  1  0.25000000  0.84204537  0.71621380  1.0
  P  P16  1  0.25000000  0.05264086  0.09905029  1.0
  P  P17  1  0.75000000  0.93980114  0.90021697  1.0
  P  P18  1  0.25000000  0.32115902  0.68595111  1.0
  P  P19  1  0.75000000  0.67933460  0.31412838  1.0
  P  P20  1  0.25000000  0.60953952  0.56743621  1.0
  P  P21  1  0.75000000  0.39172027  0.43368258  1.0
  Ir  Ir22  1  0.25000000  0.99180166  0.57596902  1.0
  Ir  Ir23  1  0.75000000  0.00855349  0.42394619  1.0
  Ir  Ir24  1  0.25000000  0.66299474  0.72888325  1.0
  Ir  Ir25  1  0.75000000  0.33948411  0.27122341  1.0
  Ir  Ir26  1  0.25000000  0.55113121  0.05004796  1.0
  Ir  Ir27  1  0.75000000  0.45518193  0.94778425  1.0
  Ir  Ir28  1  0.25000000  0.06274899  0.27407450  1.0
  Ir  Ir29  1  0.75000000  0.93665174  0.72524948  1.0
  Ir  Ir30  1  0.25000000  0.42335164  0.52111986  1.0
  Ir  Ir31  1  0.75000000  0.57735092  0.47963208  1.0
  Ir  Ir32  1  0.25000000  0.91496009  0.99697817  1.0
  Ir  Ir33  1  0.75000000  0.08000708  0.00062235  1.0
  Ir  Ir34  1  0.25000000  0.72843178  0.39871482  1.0
  Ir  Ir35  1  0.75000000  0.27190371  0.60179580  1.0
  Ir  Ir36  1  0.25000000  0.34187487  0.85873992  1.0
  Ir  Ir37  1  0.75000000  0.65835900  0.14205303  1.0