data_[Er16Zn4]
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
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.4052]
_cell_length_b [15.2096]
_cell_length_c [5.6957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Er4Zn]
_chemical_formula_sum '[Er16 Zn4]'
_cell_volume [554.8820]
_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  8  0.1519  0.1881  0.0000  1.0
  Er  Er1  8  0.1567  0.4137  0.0000  1.0
  Zn  Zn2  4  0.0000  0.0000  0.2500  1.0
]