data_[Ce4Pm12Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8284]
_cell_length_b [10.4050]
_cell_length_c [7.1285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(PmPd)3]
_chemical_formula_sum '[Ce4 Pm12 Pd12]'
_cell_volume [728.9912]
_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  0.2482  0.0000  0.1153  1
  Pm  Pm1  4  0.0000  0.1784  0.5000  1
  Pm  Pm2  4  0.0000  0.2632  0.0000  1
  Pm  Pm3  4  0.1619  0.5000  0.3850  1
  Pd  Pd4  8  0.2390  0.2599  0.7173  1
  Pd  Pd5  4  0.0635  0.0000  0.8089  1
]