data_[Gd2P4Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7155]
_cell_length_b [3.9539]
_cell_length_c [9.1045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Gd(PIr4)2]
_chemical_formula_sum '[Gd2 P4 Ir16]'
_cell_volume [340.7275]
_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
[
  Gd  Gd0  2  0.0000  0.5000  0.0000  1
  P  P1  4  0.0595  0.0000  0.8056  1
  Ir  Ir2  4  0.0266  0.5000  0.3709  1
  Ir  Ir3  4  0.1557  0.0000  0.6423  1
  Ir  Ir4  4  0.1869  0.0000  0.3592  1
  Ir  Ir5  4  0.2384  0.0000  0.1008  1
]