data_[Er16Zn4Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8507]
_cell_length_b [13.5611]
_cell_length_c [5.9118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er4ZnSn]
_chemical_formula_sum '[Er16 Zn4 Sn4]'
_cell_volume [650.5289]
_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  0.1133  0.1813  0.0701  1
  Er  Er1  8  0.2052  0.4212  0.3347  1
  Zn  Zn2  4  0.0000  0.0004  0.2500  1
  Sn  Sn3  4  0.0000  0.3780  0.7500  1
]