# generated using pymatgen
data_Y(Th2Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97849852
_cell_length_b   10.01073395
_cell_length_c   6.37154892
_cell_angle_alpha   90.41234130
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.89353418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y(Th2Ir)3
_chemical_formula_sum   'Y2 Th12 Ir6'
_cell_volume   551.76827682
_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
  Y  Y0  1  0.46019967  0.53818694  0.29721842  1.0
  Y  Y1  1  0.07798627  0.53818694  0.29721842  1.0
  Th  Th2  1  0.91730495  0.45820715  0.79923295  1.0
  Th  Th3  1  0.25420125  0.12961411  0.50113953  1.0
  Th  Th4  1  0.54083564  0.08167028  0.79502180  1.0
  Th  Th5  1  0.74401025  0.87245388  0.00136163  1.0
  Th  Th6  1  0.66577436  0.33154871  0.30470460  1.0
  Th  Th7  1  0.12844363  0.87245388  0.00136163  1.0
  Th  Th8  1  0.45713427  0.91427054  0.29367357  1.0
  Th  Th9  1  0.54090220  0.45820715  0.79923295  1.0
  Th  Th10  1  0.87541287  0.12961411  0.50113953  1.0
  Th  Th11  1  0.12847695  0.25695490  0.00355580  1.0
  Th  Th12  1  0.87083469  0.74167039  0.49817766  1.0
  Th  Th13  1  0.33324216  0.66648533  0.77780394  1.0
  Ir  Ir14  1  0.81208660  0.62417220  0.05358347  1.0
  Ir  Ir15  1  0.81404303  0.18935644  0.05408773  1.0
  Ir  Ir16  1  0.62817026  0.81743783  0.54772654  1.0
  Ir  Ir17  1  0.37531242  0.18935644  0.05408773  1.0
  Ir  Ir18  1  0.18635796  0.37271591  0.55594760  1.0
  Ir  Ir19  1  0.18926758  0.81743783  0.54772654  1.0