data_[Ce4Si4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7652]
_cell_length_b [5.6857]
_cell_length_c [8.0332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeSiPd]
_chemical_formula_sum '[Ce4 Si4 Pd4]'
_cell_volume [238.5777]
_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  0.2131  0.1311  0.8761  1.0
  Si  Si1  4  0.1907  0.6336  0.0283  1.0
  Pd  Pd2  4  0.4007  0.6083  0.8003  1.0
]