data_[Hf1Zr3Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1031]
_cell_length_b [4.1031]
_cell_length_c [13.6702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HfZr3Sb4]
_chemical_formula_sum '[Hf1 Zr3 Sb4]'
_cell_volume [199.3095]
_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
[
  Hf  Hf0  1  0.3333  0.6667  0.1189  1
  Zr  Zr1  1  0.3333  0.6667  0.3806  1
  Zr  Zr2  1  0.6667  0.3333  0.6179  1
  Zr  Zr3  1  0.6667  0.3333  0.8825  1
  Sb  Sb4  1  0.0000  0.0000  0.0025  1
  Sb  Sb5  1  0.0000  0.0000  0.4994  1
  Sb  Sb6  1  0.3333  0.6667  0.7505  1
  Sb  Sb7  1  0.6667  0.3333  0.2478  1
]