data_[Ce4In5Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8944]
_cell_length_b [3.6746]
_cell_length_c [9.8427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4In5Ir2]
_chemical_formula_sum '[Ce4 In5 Ir2]'
_cell_volume [284.7893]
_cell_formula_units_Z [1]
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  0.1778  0.5000  0.8505  1.0
  Ce  Ce1  2  0.2161  0.5000  0.4421  1.0
  In  In2  2  0.1753  0.0000  0.1496  1.0
  In  In3  2  0.4583  0.0000  0.6746  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  Ir  Ir5  2  0.0813  0.0000  0.6430  1.0
]