data_[Er8Al4Si12]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.6116]
_cell_length_b [4.0865]
_cell_length_c [17.3728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Er2AlSi3]
_chemical_formula_sum '[Er8 Al4 Si12]'
_cell_volume [469.3870]
_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  0.1678  0.2500  0.0844  1
  Er  Er1  4  0.1684  0.2500  0.2971  1
  Al  Al2  4  0.0450  0.7500  0.4345  1
  Si  Si3  4  0.0204  0.2500  0.8195  1
  Si  Si4  4  0.1543  0.2500  0.6907  1
  Si  Si5  4  0.2496  0.2500  0.4643  1
]