data_[Ce16Ga2Ge4]
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 [15.7959]
_cell_length_b [5.0476]
_cell_length_c [7.6799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8GaGe2]
_chemical_formula_sum '[Ce16 Ga2 Ge4]'
_cell_volume [559.3822]
_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  0.0110  0.0000  0.7609  1.0
  Ce  Ce1  4  0.0657  0.5000  0.4358  1.0
  Ce  Ce2  4  0.1827  0.5000  0.9215  1.0
  Ce  Ce3  4  0.2015  0.0000  0.2700  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge5  4  0.1740  0.0000  0.6437  1.0
]