data_[Er8Pd4]
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 [C2/m]
_cell_length_a [6.3846]
_cell_length_b [9.7771]
_cell_length_c [5.6147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Pd]
_chemical_formula_sum '[Er8 Pd4]'
_cell_volume [300.5286]
_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  0.0000  0.1773  0.0000  1.0
  Er  Er1  4  0.1905  0.5000  0.3557  1.0
  Pd  Pd2  4  0.0000  0.2549  0.5000  1.0
]