data_[Zr16Zn2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7693]
_cell_length_b [4.4321]
_cell_length_c [7.3600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr8ZnSn2]
_chemical_formula_sum '[Zr16 Zn2 Sn4]'
_cell_volume [486.3136]
_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  0.0456  0.0000  0.7497  1.0
  Zr  Zr1  4  0.0896  0.5000  0.4453  1.0
  Zr  Zr2  4  0.1394  0.0000  0.1951  1.0
  Zr  Zr3  4  0.1801  0.5000  0.9193  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn5  4  0.2196  0.0000  0.6514  1.0
]