data_[Er8Si8Pd4]
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 [C2/m]
_cell_length_a [10.4038]
_cell_length_b [4.2311]
_cell_length_c [10.0261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Si2Pd]
_chemical_formula_sum '[Er8 Si8 Pd4]'
_cell_volume [390.1915]
_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  4  0.0025  0.0000  0.3239  1.0
  Er  Er1  4  0.1860  0.0000  0.1061  1.0
  Si  Si2  4  0.0194  0.5000  0.8862  1.0
  Si  Si3  4  0.1328  0.5000  0.5653  1.0
  Pd  Pd4  4  0.2244  0.5000  0.3595  1.0
]