data_[Ce2Ge6Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.1002]
_cell_length_b [5.7210]
_cell_length_c [5.9185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CeGe3Pd]
_chemical_formula_sum '[Ce2 Ge6 Pd2]'
_cell_volume [206.5518]
_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  2  0.0000  0.3561  0.5810  1.0
  Ge  Ge1  4  0.2326  0.1936  0.0323  1.0
  Ge  Ge2  2  0.0000  0.5751  0.1344  1.0
  Pd  Pd3  2  0.0000  0.8836  0.8422  1.0
]