# generated using pymatgen
data_Y3Th5(P7Ir8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97087736
_cell_length_b   12.73126707
_cell_length_c   13.12171112
_cell_angle_alpha   81.54916877
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Th5(P7Ir8)2
_chemical_formula_sum   'Y3 Th5 P14 Ir16'
_cell_volume   656.15639959
_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
  Y  Y0  1  0.75000000  0.48004379  0.70843985  1.0
  Y  Y1  1  0.25000000  0.20757241  0.44045050  1.0
  Y  Y2  1  0.75000000  0.79136302  0.56023583  1.0
  Th  Th3  1  0.25000000  0.10742879  0.78976698  1.0
  Th  Th4  1  0.75000000  0.89323940  0.20861725  1.0
  Th  Th5  1  0.25000000  0.28199656  0.09860367  1.0
  Th  Th6  1  0.75000000  0.71651123  0.90047112  1.0
  Th  Th7  1  0.25000000  0.51712748  0.29098897  1.0
  P  P8  1  0.25000000  0.05523046  0.09851879  1.0
  P  P9  1  0.75000000  0.94485399  0.90065396  1.0
  P  P10  1  0.25000000  0.31834326  0.68782418  1.0
  P  P11  1  0.75000000  0.68473341  0.31525755  1.0
  P  P12  1  0.25000000  0.60819286  0.56610195  1.0
  P  P13  1  0.75000000  0.38765613  0.44013165  1.0
  P  P14  1  0.25000000  0.84371280  0.71570184  1.0
  P  P15  1  0.75000000  0.15635721  0.28484474  1.0
  P  P16  1  0.75000000  0.25414290  0.91568843  1.0
  P  P17  1  0.25000000  0.74685038  0.08385215  1.0
  P  P18  1  0.75000000  0.09214331  0.58814017  1.0
  P  P19  1  0.25000000  0.90785214  0.41315395  1.0
  P  P20  1  0.75000000  0.47036878  0.12509898  1.0
  P  P21  1  0.25000000  0.52857755  0.86846894  1.0
  Ir  Ir22  1  0.25000000  0.99029142  0.57587150  1.0
  Ir  Ir23  1  0.75000000  0.01025678  0.42393755  1.0
  Ir  Ir24  1  0.25000000  0.66332651  0.72729610  1.0
  Ir  Ir25  1  0.75000000  0.33764792  0.27261459  1.0
  Ir  Ir26  1  0.25000000  0.54895764  0.04871025  1.0
  Ir  Ir27  1  0.75000000  0.45327086  0.94775783  1.0
  Ir  Ir28  1  0.25000000  0.06093195  0.27423014  1.0
  Ir  Ir29  1  0.75000000  0.93921806  0.72525292  1.0
  Ir  Ir30  1  0.25000000  0.42340370  0.52631418  1.0
  Ir  Ir31  1  0.75000000  0.57723837  0.47759253  1.0
  Ir  Ir32  1  0.25000000  0.91833244  0.99770786  1.0
  Ir  Ir33  1  0.75000000  0.08233861  0.00085554  1.0
  Ir  Ir34  1  0.25000000  0.72930743  0.39820804  1.0
  Ir  Ir35  1  0.75000000  0.27031024  0.60320783  1.0
  Ir  Ir36  1  0.25000000  0.34099869  0.85903820  1.0
  Ir  Ir37  1  0.75000000  0.65986953  0.14039547  1.0