data_[Ce6Ag2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5007]
_cell_length_b [5.7163]
_cell_length_c [8.5575]
_cell_angle_alpha [71.1904]
_cell_angle_beta [85.6156]
_cell_angle_gamma [71.3969]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce3AgIr]
_chemical_formula_sum '[Ce6 Ag2 Ir2]'
_cell_volume [241.2971]
_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  2  0.1304  0.7311  0.6083  1.0
  Ce  Ce1  2  0.1633  0.6544  0.2961  1.0
  Ce  Ce2  2  0.3105  0.2619  0.0257  1.0
  Ag  Ag3  2  0.4234  0.1145  0.6321  1.0
  Ir  Ir4  2  0.1716  0.8115  0.9290  1.0
]