data_[Zr8Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [8.3687]
_cell_length_b [8.3687]
_cell_length_c [5.3953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Zr4Sb3]
_chemical_formula_sum '[Zr8 Sb6]'
_cell_volume [327.2424]
_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  6  0.0292  0.7907  0.7500  1
  Zr  Zr1  2  0.3333  0.6667  0.7500  1
  Sb  Sb2  6  0.0621  0.6247  0.2500  1
]