data_CuSnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   54.94
_cell_angle_beta   54.94
_cell_angle_gamma   54.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnF6
_chemical_formula_sum   'Cu1 Sn1 F6'
_cell_volume   84.96
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn7  1  0.0  0.0  0.53  1.0
  F  F1  1  0.38  0.07  0.64  1.0
  F  F2  1  0.62  0.93  0.43  1.0
  F  F3  1  0.25  0.44  0.43  1.0
  F  F4  1  0.75  0.56  0.64  1.0
  F  F5  1  0.87  0.37  0.64  1.0
  F  F6  1  0.13  0.63  0.43  1.0

data_CuSnF6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.14
_cell_angle_alpha   62.53
_cell_angle_beta   62.53
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnF6
_chemical_formula_sum   'Cu1 Sn1 F6'
_cell_volume   84.96
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.47  0.53  1.0
  F  F2  1  0.07  0.57  0.98  1.0
  F  F3  1  0.37  0.57  0.19  1.0
  F  F4  1  0.44  0.36  0.94  1.0
  F  F5  1  0.56  0.57  0.12  1.0
  F  F6  1  0.63  0.36  0.88  1.0
  F  F7  1  0.93  0.36  0.09  1.0

Cu Sn F F F F F F
Cu Sn F F F F F F 0 7 o - o 0 3 - - o 0 2 o o - 0 6 - o - 1 7 o - o 1 6 - o o 2 3 o - o 2 4 o o o 3 5 o o o 4 7 o o o 5 6 o o o 
CuSnF6 crystallizes in the triclinic P1 space group. Cu(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(5), and one F(6) atom. The Cu(1)-F(1) bond length is 1.81 Å. The Cu(1)-F(2) bond length is 1.94 Å. The Cu(1)-F(5) bond length is 1.85 Å. The Cu(1)-F(6) bond length is 2.07 Å. Sn(1) is bonded in a linear geometry to one F(5) and one F(6) atom. The Sn(1)-F(5) bond length is 1.91 Å. The Sn(1)-F(6) bond length is 1.91 Å. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 1-coordinate geometry to one Cu(1), one F(2), and one F(3) atom. The F(1)-F(2) bond length is 1.26 Å. The F(1)-F(3) bond length is 1.48 Å. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cu(1), one F(1), and one F(4) atom. The F(2)-F(4) bond length is 1.48 Å. In the third F site, F(3) is bonded in a 2-coordinate geometry to one F(1) and one F(6) atom. The F(3)-F(6) bond length is 0.81 Å. In the fourth F site, F(4) is bonded in a 2-coordinate geometry to one F(2) and one F(5) atom. The F(4)-F(5) bond length is 0.81 Å. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Cu(1), one Sn(1), and one F(4) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Cu(1), one Sn(1), and one F(3) atom.