data_[Fe2P2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.8645]
_cell_length_b [3.5744]
_cell_length_c [4.5724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.2494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FePIr]
_chemical_formula_sum '[Fe2 P2 Ir2]'
_cell_volume [85.6287]
_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
[
  Fe  Fe0  2  0.4405  0.0000  0.9569  1
  P  P1  2  0.2038  0.5000  0.6275  1
  Ir  Ir2  2  0.2613  0.0000  0.2779  1
]