data_[Ce1Ga6Pd4]
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 [P-6m2]
_cell_length_a [7.4171]
_cell_length_b [7.4171]
_cell_length_c [4.1165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ce(Ga3Pd2)2]
_chemical_formula_sum '[Ce1 Ga6 Pd4]'
_cell_volume [196.1234]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  3  0.1980  0.3959  0.5000  1.0
  Ga  Ga2  3  0.5349  0.0698  0.0000  1.0
  Pd  Pd3  3  0.4043  0.2022  0.5000  1.0
  Pd  Pd4  1  0.3333  0.6667  0.0000  1.0
]