data_[P8Ir4]
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 [P2_1/c]
_cell_length_a [5.7954]
_cell_length_b [5.8377]
_cell_length_c [5.9007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [P2Ir]
_chemical_formula_sum '[P8 Ir4]'
_cell_volume [185.9873]
_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  4  0.1579  0.6189  0.3709  1.0
  P  P1  4  0.3341  0.1236  0.6890  1.0
  Ir  Ir2  4  0.2717  0.0007  0.2918  1.0
]