data_[Zr10Al4Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.1945]
_cell_length_b [11.9636]
_cell_length_c [4.3458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Zr5Al2Si]
_chemical_formula_sum '[Zr10 Al4 Si2]'
_cell_volume [322.0609]
_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
[
  Zr  Zr0  4  0.0714  0.7310  0.0000  1
  Zr  Zr1  4  0.1950  0.3950  0.5000  1
  Zr  Zr2  2  0.0000  0.0000  0.0000  1
  Al  Al3  4  0.1656  0.1439  0.5000  1
  Si  Si4  2  0.0000  0.5000  0.0000  1
]