data_[Er16Al20Si24]
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 [Cmc2_1]
_cell_length_a [4.1431]
_cell_length_b [18.8656]
_cell_length_c [14.9191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er4Al5Si6]
_chemical_formula_sum '[Er16 Al20 Si24]'
_cell_volume [1166.0939]
_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  0.0000  0.0150  0.4991  1
  Er  Er1  4  0.0000  0.0395  0.7682  1
  Er  Er2  4  0.0000  0.1621  0.3076  1
  Er  Er3  4  0.0000  0.1807  0.9449  1
  Al  Al4  4  0.0000  0.1522  0.6271  1
  Al  Al5  4  0.0000  0.3066  0.6171  1
  Al  Al6  4  0.0000  0.3387  0.2802  1
  Al  Al7  4  0.0000  0.3559  0.9742  1
  Al  Al8  4  0.0000  0.4451  0.6807  1
  Si  Si9  4  0.0000  0.1097  0.1179  1
  Si  Si10  4  0.0000  0.2167  0.4869  1
  Si  Si11  4  0.0000  0.2331  0.7603  1
  Si  Si12  4  0.0000  0.4268  0.4091  1
  Si  Si13  4  0.0000  0.4269  0.1294  1
  Si  Si14  4  0.0000  0.4487  0.8527  1
]