data_[Ce6P8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8792]
_cell_length_b [4.0599]
_cell_length_c [8.4555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3(P2Ir)2]
_chemical_formula_sum '[Ce6 P8 Ir4]'
_cell_volume [354.5836]
_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
[
  Ce  Ce0  4  0.1312  0.5000  0.7248  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  P  P2  4  0.0883  0.0000  0.3902  1.0
  P  P3  4  0.1864  0.5000  0.0979  1.0
  Ir  Ir4  4  0.1808  0.5000  0.3723  1.0
]