data_[Th2P4Ir2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.9866]
_cell_length_b [6.7233]
_cell_length_c [7.5795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [ThP2IrRu2]
_chemical_formula_sum '[Th2 P4 Ir2 Ru4]'
_cell_volume [203.1572]
_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
[
  Th  Th0  2  0.0000  0.3504  0.5261  1
  P  P1  2  0.0000  0.1119  0.8307  1
  P  P2  2  0.5000  0.3544  0.2121  1
  Ru  Ru3  2  0.0000  0.1640  0.1275  1
  Ru  Ru4  2  0.5000  0.0540  0.3707  1
  Ir  Ir5  2  0.5000  0.3504  0.8874  1
]