# generated using pymatgen
data_Th2P4Ir3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19747652
_cell_length_b   4.19747652
_cell_length_c   9.51507575
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2P4Ir3Ru
_chemical_formula_sum   'Th2 P4 Ir3 Ru1'
_cell_volume   167.64430329
_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
  Th  Th0  1  0.00000000  0.50000000  0.24662874  1.0
  Th  Th1  1  0.50000000  0.00000000  0.75337126  1.0
  P  P2  1  0.00000000  0.00000000  0.00000000  1.0
  P  P3  1  0.50000000  0.50000000  0.00000000  1.0
  P  P4  1  0.00000000  0.50000000  0.63569322  1.0
  P  P5  1  0.50000000  0.00000000  0.36430678  1.0
  Ir  Ir6  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir7  1  0.00000000  0.50000000  0.88881448  1.0
  Ir  Ir8  1  0.50000000  0.00000000  0.11118552  1.0
  Ru  Ru9  1  0.00000000  0.00000000  0.50000000  1.0