data_[Ce4Be2Ge2Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6004]
_cell_length_b [5.7195]
_cell_length_c [7.1423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2BeGeIr6]
_chemical_formula_sum '[Ce4 Be2 Ge2 Ir12]'
_cell_volume [355.5570]
_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  0.2214  0.5000  0.6544  1
  Be  Be1  2  0.0000  0.5000  0.0000  1
  Ge  Ge2  2  0.0000  0.0000  0.5000  1
  Ir  Ir3  8  0.0294  0.2340  0.8100  1
  Ir  Ir4  4  0.2342  0.5000  0.2232  1
]