data_ZnSnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   56.68
_cell_angle_beta   56.68
_cell_angle_gamma   56.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnF6
_chemical_formula_sum   'Zn1 Sn1 F6'
_cell_volume   115.63
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.05  1.0
  F  F2  1  0.01  0.29  0.89  1.0
  F  F3  1  0.62  0.48  0.89  1.0
  F  F4  1  0.62  0.77  0.2  1.0
  F  F5  1  0.38  0.52  0.2  1.0
  F  F6  1  0.99  0.71  0.2  1.0
  F  F7  1  0.38  0.23  0.89  1.0

data_ZnSnF6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.62
_cell_angle_alpha   61.66
_cell_angle_beta   61.66
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnF6
_chemical_formula_sum   'Zn1 Sn1 F6'
_cell_volume   115.63
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.95  0.05  1.0
  F  F2  1  0.23  0.8  0.6  1.0
  F  F3  1  0.29  0.8  0.9  1.0
  F  F4  1  0.48  0.8  0.11  1.0
  F  F5  1  0.52  0.11  0.99  1.0
  F  F6  1  0.71  0.11  0.19  1.0
  F  F7  1  0.77  0.11  0.49  1.0

Zn Sn F F F F F F
Zn Sn F F F F F F 0 1 o o o 0 2 o o - 0 6 - - o 1 2 o o - 1 6 - - o 2 3 - o o 2 7 o o o 3 5 o o + 4 7 o + - 4 6 o o o 5 6 - o o 