data_[Zr2Sn4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8408]
_cell_length_b [3.8884]
_cell_length_c [5.6641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrSn2F8]
_chemical_formula_sum '[Zr2 Sn4 F16]'
_cell_volume [332.4833]
_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  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn1  4  0.1657  0.0000  0.6130  1.0
  F  F2  4  0.0043  0.0000  0.2068  1.0
  F  F3  4  0.1003  0.5000  0.3541  1.0
  F  F4  4  0.1124  0.5000  0.8957  1.0
  F  F5  4  0.2323  0.0000  0.3175  1.0
]