data_[Zn4P4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [5.2634]
_cell_length_b [6.1887]
_cell_length_c [6.1154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8102]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZnPIr]
_chemical_formula_sum '[Zn4 P4 Ir4]'
_cell_volume [188.5637]
_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
[
  Zn  Zn0  4  0.1374  0.1618  0.3774  1
  P  P1  4  0.3627  0.5955  0.1977  1
  Ir  Ir2  4  0.2538  0.5570  0.5383  1
]