data_[Er12Al4Sn8]
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 [Pnma]
_cell_length_a [12.1088]
_cell_length_b [4.4251]
_cell_length_c [11.6551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Er3AlSn2]
_chemical_formula_sum '[Er12 Al4 Sn8]'
_cell_volume [624.5140]
_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  4  0.0490  0.2500  0.3783  1
  Er  Er1  4  0.1295  0.7500  0.9369  1
  Er  Er2  4  0.2182  0.2500  0.7042  1
  Al  Al3  4  0.1309  0.2500  0.1297  1
  Sn  Sn4  4  0.0089  0.7500  0.1875  1
  Sn  Sn5  4  0.1857  0.7500  0.4935  1
]