data_[P2Ir1]
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 [P1]
_cell_length_a [3.4212]
_cell_length_b [4.0115]
_cell_length_c [4.2429]
_cell_angle_alpha [77.7933]
_cell_angle_beta [67.6664]
_cell_angle_gamma [80.1663]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [P2Ir]
_chemical_formula_sum '[P2 Ir1]'
_cell_volume [52.3807]
_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
[
  P  P0  1  0.2734  0.0394  0.4298  1
  P  P1  1  0.5499  0.4904  0.0778  1
  Ir  Ir2  1  0.8394  0.6244  0.4802  1
]