data_[Ce8Ga8Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0705]
_cell_length_b [4.2792]
_cell_length_c [11.0693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Ga2Ge]
_chemical_formula_sum '[Ce8 Ga8 Ge4]'
_cell_volume [465.3031]
_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  4  0.1042  0.0000  0.9096  1.0
  Ce  Ce1  4  0.2102  0.5000  0.6441  1.0
  Ga  Ga2  4  0.0134  0.0000  0.3974  1.0
  Ga  Ga3  4  0.1306  0.5000  0.1182  1.0
  Ge  Ge4  4  0.0665  0.5000  0.3130  1.0
]