data_[Sr6Er6Pd45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [9.3602]
_cell_length_b [9.3602]
_cell_length_c [14.1191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Er2Pd15]
_chemical_formula_sum '[Sr6 Er6 Pd45]'
_cell_volume [1071.2889]
_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
[
  Sr  Sr0  6  0.0000  0.0000  0.3589  1.0
  Er  Er1  6  0.0000  0.0000  0.1092  1.0
  Pd  Pd2  18  0.0000  0.2961  0.0000  1.0
  Pd  Pd3  18  0.0004  0.5002  0.1527  1.0
  Pd  Pd4  9  0.0000  0.5000  0.5000  1.0
]