data_[Er12Ag4Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.6895]
_cell_length_b [14.3841]
_cell_length_c [5.0714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er3AgPd6]
_chemical_formula_sum '[Er12 Ag4 Pd24]'
_cell_volume [779.7649]
_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  0.1853  0.1038  0.5337  1
  Er  Er1  4  0.0000  0.3757  0.8937  1
  Ag  Ag2  4  0.0000  0.1717  0.9264  1
  Pd  Pd3  8  0.1335  0.4506  0.4144  1
  Pd  Pd4  8  0.2483  0.2085  0.0843  1
  Pd  Pd5  4  0.0000  0.0194  0.2256  1
  Pd  Pd6  4  0.0000  0.2658  0.4042  1
]