data_[Zr6Al1Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.6642]
_cell_length_b [7.6642]
_cell_length_c [3.9652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Zr6AlSb2]
_chemical_formula_sum '[Zr6 Al1 Sb2]'
_cell_volume [201.7089]
_cell_formula_units_Z [1]
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  3  0.0000  0.2458  0.0000  1.0
  Zr  Zr1  3  0.0000  0.5984  0.5000  1.0
  Al  Al2  1  0.0000  0.0000  0.5000  1.0
  Sb  Sb3  2  0.3333  0.6667  0.0000  1.0
]