data_[P16Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.1484]
_cell_length_b [10.7415]
_cell_length_c [6.5169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [P4Ir]
_chemical_formula_sum '[P16 Ir4]'
_cell_volume [331.3995]
_cell_formula_units_Z [4]
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
[
  P  P0  8  0.1457  0.3177  0.1551  1
  P  P1  8  0.1617  0.0006  0.1790  1
  Ir  Ir2  4  0.0000  0.3393  0.7500  1
]