data_[Er4Al6Si4]
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 [10.1028]
_cell_length_b [4.0180]
_cell_length_c [6.5924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Al3Si2]
_chemical_formula_sum '[Er4 Al6 Si4]'
_cell_volume [262.8653]
_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  0.1196  0.5000  0.3229  1.0
  Al  Al1  4  0.1950  0.5000  0.8669  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  Si  Si3  4  0.0937  0.0000  0.6394  1.0
]