data_[Ce14Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.8804]
_cell_length_b [9.8804]
_cell_length_c [6.1373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Ce7Ir3]
_chemical_formula_sum '[Ce14 Ir6]'
_cell_volume [518.8682]
_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  6  0.0750  0.5375  0.4560  1.0
  Ce  Ce1  6  0.1284  0.2568  0.7475  1.0
  Ce  Ce2  2  0.3333  0.6667  0.9534  1.0
  Ir  Ir3  6  0.1868  0.3737  0.1983  1.0
]