data_[Er16Al4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.1422]
_cell_length_b [7.1422]
_cell_length_c [14.2583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Er4AlSn]
_chemical_formula_sum '[Er16 Al4 Sn4]'
_cell_volume [727.3282]
_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  16  0.2399  0.2500  0.6250  1
  Al  Al1  4  0.0000  0.0000  0.5000  1
  Sn  Sn2  4  0.0000  0.0000  0.0000  1
]