data_[Ce6Ga16Pd6]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9133]
_cell_length_b [4.5451]
_cell_length_c [8.8705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Ga8Pd3]
_chemical_formula_sum '[Ce6 Ga16 Pd6]'
_cell_volume [535.8424]
_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  0.2141  0.5000  0.7088  1
  Ce  Ce1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0029  0.5000  0.6708  1
  Ga  Ga3  4  0.1418  0.0000  0.4325  1
  Ga  Ga4  4  0.1510  0.0000  0.8620  1
  Ga  Ga5  4  0.1510  0.5000  0.2863  1
  Pd  Pd6  4  0.1490  0.5000  0.0011  1
  Pd  Pd7  2  0.0000  0.0000  0.5000  1
]