data_[Er6Zn36Cu9Ag3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1525]
_cell_length_b [9.1525]
_cell_length_c [12.5110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er2Zn12Cu3Ag]
_chemical_formula_sum '[Er6 Zn36 Cu9 Ag3]'
_cell_volume [907.6256]
_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  0.2498  1
  Zn  Zn1  18  0.0070  0.5035  0.7028  1
  Zn  Zn2  18  0.0550  0.5275  0.0989  1
  Cu  Cu3  9  0.0000  0.5000  0.5000  1
  Ag  Ag4  3  0.0000  0.0000  0.0000  1
]