data_[P4Ir2Se2]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.5511]
_cell_length_b [2.9457]
_cell_length_c [4.9538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [P2IrSe]
_chemical_formula_sum '[P4 Ir2 Se2]'
_cell_volume [136.2948]
_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
[
  P  P0  2  0.1893  0.5000  0.5311  1
  P  P1  2  0.4406  0.0000  0.2423  1
  Ir  Ir2  2  0.2504  0.5000  0.0855  1
  Se  Se3  2  0.4900  0.0000  0.8324  1
]