data_[Er12Si8Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4665]
_cell_length_b [15.0955]
_cell_length_c [5.5644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Er3Si2Pd3]
_chemical_formula_sum '[Er12 Si8 Pd12]'
_cell_volume [627.1661]
_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
[
  Er  Er0  8  0.0280  0.6089  0.6358  1
  Er  Er1  4  0.1686  0.7500  0.1251  1
  Si  Si2  8  0.1195  0.1079  0.8605  1
  Pd  Pd3  8  0.1757  0.5333  0.0936  1
  Pd  Pd4  4  0.1871  0.2500  0.1157  1
]