data_[Zr6Ti4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1195]
_cell_length_b [3.9389]
_cell_length_c [9.3347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.9145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr3(TiSb2)2]
_chemical_formula_sum '[Zr6 Ti4 Sb8]'
_cell_volume [398.1962]
_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  0.1469  0.5000  0.6871  1.0
  Zr  Zr1  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti2  4  0.1854  0.5000  0.3537  1.0
  Sb  Sb3  4  0.0477  0.0000  0.3713  1.0
  Sb  Sb4  4  0.1666  0.5000  0.0330  1.0
]