data_[Ac10Ce2Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5189]
_cell_length_b [6.0028]
_cell_length_c [8.5511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac5CeIr5]
_chemical_formula_sum '[Ac10 Ce2 Ir10]'
_cell_volume [656.9539]
_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
[
  Ac  Ac0  4  0.1709  0.5000  0.8436  1
  Ac  Ac1  4  0.1779  0.5000  0.3256  1
  Ac  Ac2  2  0.0000  0.0000  0.5000  1
  Ce  Ce3  2  0.0000  0.0000  0.0000  1
  Ir  Ir4  4  0.1481  0.0000  0.8343  1
  Ir  Ir5  4  0.1569  0.0000  0.3215  1
  Ir  Ir6  2  0.0000  0.5000  0.0000  1
]