data_[Zr16Sn4Sb2]
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 [C2/m]
_cell_length_a [15.7452]
_cell_length_b [4.5531]
_cell_length_c [7.5035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr8Sn2Sb]
_chemical_formula_sum '[Zr16 Sn4 Sb2]'
_cell_volume [499.9561]
_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  0.0414  0.0000  0.7498  1.0
  Zr  Zr1  4  0.0903  0.5000  0.4419  1.0
  Zr  Zr2  4  0.1472  0.0000  0.2035  1.0
  Zr  Zr3  4  0.1785  0.5000  0.9146  1.0
  Sn  Sn4  4  0.2141  0.0000  0.6524  1.0
  Sb  Sb5  2  0.0000  0.5000  0.0000  1.0
]