data_[Ce10Sc2Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1423]
_cell_length_b [4.4674]
_cell_length_c [6.7850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5ScIr4]
_chemical_formula_sum '[Ce10 Sc2 Ir8]'
_cell_volume [457.5429]
_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  0.1647  0.0000  0.0708  1
  Ce  Ce1  4  0.1845  0.0000  0.5177  1
  Ce  Ce2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.0000  1
  Ir  Ir4  4  0.0101  0.0000  0.7650  1
  Ir  Ir5  4  0.1539  0.5000  0.7789  1
]