data_[Ce12Co12Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2007]
_cell_length_b [10.9097]
_cell_length_c [12.8131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce3Co3Ge2]
_chemical_formula_sum '[Ce12 Co12 Ge8]'
_cell_volume [587.2105]
_cell_formula_units_Z [4]
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  8  0.0000  0.0760  0.6111  1.0
  Ce  Ce1  4  0.0000  0.3691  0.7500  1.0
  Co  Co2  8  0.0000  0.3887  0.5529  1.0
  Co  Co3  4  0.0000  0.3292  0.2500  1.0
  Ge  Ge4  8  0.0000  0.2187  0.0874  1.0
]