data_[Er6Pd51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1150]
_cell_length_b [9.1150]
_cell_length_c [13.6170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er2Pd17]
_chemical_formula_sum '[Er6 Pd51]'
_cell_volume [979.7721]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3232  1.0
  Pd  Pd1  18  0.0000  0.3103  0.0000  1.0
  Pd  Pd2  18  0.0058  0.5029  0.1557  1.0
  Pd  Pd3  9  0.0000  0.5000  0.5000  1.0
  Pd  Pd4  6  0.0000  0.0000  0.1005  1.0
]