data_[Zr12Sn4Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3437]
_cell_length_b [6.9749]
_cell_length_c [10.4160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr3SnSb]
_chemical_formula_sum '[Zr12 Sn4 Sb4]'
_cell_volume [480.2670]
_cell_formula_units_Z [4]
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  0.0529  0.6288  0.7557  1
  Zr  Zr1  4  0.3494  0.6681  0.6217  1
  Zr  Zr2  4  0.3718  0.1677  0.4652  1
  Sn  Sn3  4  0.1300  0.1906  0.0932  1
  Sb  Sb4  4  0.3046  0.5560  0.3095  1
]