data_[Er16Zn4Fe2]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0580]
_cell_length_b [5.1387]
_cell_length_c [6.6593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Zn2Fe]
_chemical_formula_sum '[Er16 Zn4 Fe2]'
_cell_volume [552.7771]
_cell_formula_units_Z [2]
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  0.0251  0.0000  0.7907  1
  Er  Er1  4  0.0904  0.5000  0.4270  1
  Er  Er2  4  0.1566  0.5000  0.9624  1
  Er  Er3  4  0.1984  0.0000  0.3037  1
  Zn  Zn4  4  0.1835  0.0000  0.7141  1
  Fe  Fe5  2  0.0000  0.5000  0.0000  1
]