data_[Er4Al2Sn2]
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 [P2_1/m]
_cell_length_a [5.9877]
_cell_length_b [4.1516]
_cell_length_c [8.6879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er2AlSn]
_chemical_formula_sum '[Er4 Al2 Sn2]'
_cell_volume [205.7880]
_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  2  0.1989  0.2500  0.4275  1.0
  Er  Er1  2  0.2823  0.7500  0.0661  1.0
  Al  Al2  2  0.1276  0.2500  0.7914  1.0
  Sn  Sn3  2  0.3763  0.7500  0.7092  1.0
]