data_[Er3Cu8Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.1155]
_cell_length_b [5.1155]
_cell_length_c [8.4098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Er3Cu8Pd]
_chemical_formula_sum '[Er3 Cu8 Pd1]'
_cell_volume [190.5865]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0995  1.0
  Er  Er1  1  0.6667  0.3333  0.5353  1.0
  Er  Er2  1  0.6667  0.3333  0.9311  1.0
  Cu  Cu3  3  0.0023  0.5012  0.2509  1.0
  Cu  Cu4  3  0.1639  0.3277  0.7456  1.0
  Cu  Cu5  1  0.3333  0.6667  0.4982  1.0
  Cu  Cu6  1  0.3333  0.6667  0.9925  1.0
  Pd  Pd7  1  0.0000  0.0000  0.4539  1.0
]