data_[Er8Zn20Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4616]
_cell_length_b [24.6637]
_cell_length_c [6.8485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er2Zn5Au3]
_chemical_formula_sum '[Er8 Zn20 Au12]'
_cell_volume [753.5973]
_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  0.1762  0.2846  1
  Er  Er1  4  0.0000  0.4847  0.2332  1
  Zn  Zn2  4  0.0000  0.0523  0.4228  1
  Zn  Zn3  4  0.0000  0.1243  0.7274  1
  Zn  Zn4  4  0.0000  0.2914  0.5004  1
  Zn  Zn5  4  0.0000  0.2968  0.1148  1
  Zn  Zn6  4  0.0000  0.3924  0.5584  1
  Au  Au7  4  0.0000  0.0518  0.0191  1
  Au  Au8  4  0.0000  0.2301  0.8124  1
  Au  Au9  4  0.0000  0.3928  0.9622  1
]