data_[Zr12Be12Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6868]
_cell_length_b [9.7411]
_cell_length_c [13.6318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Zr3Be3Si2]
_chemical_formula_sum '[Zr12 Be12 Si8]'
_cell_volume [489.5606]
_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
[
  Zr  Zr0  8  0.0000  0.1382  0.5924  1
  Zr  Zr1  4  0.0000  0.4340  0.7500  1
  Be  Be2  8  0.0000  0.4287  0.5537  1
  Be  Be3  4  0.0000  0.2903  0.2500  1
  Si  Si4  8  0.0000  0.1519  0.1161  1
]