data_[Pr2P2Ir1Os1O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0426]
_cell_length_b [4.0426]
_cell_length_c [8.3481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pr2P2IrOsO2]
_chemical_formula_sum '[Pr2 P2 Ir1 Os1 O2]'
_cell_volume [136.4317]
_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
[
  Pr  Pr0  2  0.0000  0.5000  0.6445  1
  P  P1  2  0.0000  0.5000  0.1467  1
  Ir  Ir2  1  0.0000  0.0000  0.0000  1
  Os  Os3  1  0.5000  0.5000  0.0000  1
  O  O4  1  0.0000  0.0000  0.5000  1
  O  O5  1  0.5000  0.5000  0.5000  1
]