data_[Er6Al8Si4]
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 [C2/m]
_cell_length_a [10.7348]
_cell_length_b [4.2222]
_cell_length_c [8.3307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(Al2Si)2]
_chemical_formula_sum '[Er6 Al8 Si4]'
_cell_volume [364.3032]
_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  4  0.1701  0.5000  0.6601  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0472  0.0000  0.3791  1
  Al  Al3  4  0.2288  0.5000  0.0658  1
  Si  Si4  4  0.1107  0.5000  0.2782  1
]