data_[Er8Be4Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4068]
_cell_length_b [3.9286]
_cell_length_c [10.1240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2BeSi2]
_chemical_formula_sum '[Er8 Be4 Si8]'
_cell_volume [373.4292]
_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  0.1053  0.0000  0.9029  1
  Er  Er1  4  0.2063  0.5000  0.6463  1
  Be  Be2  4  0.0613  0.5000  0.3124  1
  Si  Si3  4  0.0378  0.0000  0.4066  1
  Si  Si4  4  0.1185  0.5000  0.1205  1
]