data_VZnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   7.63
_cell_angle_alpha   111.17
_cell_angle_beta   111.17
_cell_angle_gamma   71.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnF5
_chemical_formula_sum   'V2 Zn2 F10'
_cell_volume   186.36
_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
  V  V0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.3  0.0  0.42  1.0
  Zn  Zn2  1  0.79  0.16  0.12  1.0
  Zn  Zn3  1  0.49  0.84  0.71  1.0
  F  F4  1  0.49  0.59  0.71  1.0
  F  F5  1  0.79  0.41  0.12  1.0
  F  F6  1  0.26  0.82  0.54  1.0
  F  F7  1  0.73  0.82  0.88  1.0
  F  F8  1  0.05  0.22  0.32  1.0
  F  F9  1  0.93  0.22  0.1  1.0
  F  F10  1  0.23  0.78  0.51  1.0
  F  F11  1  0.35  0.78  0.73  1.0
  F  F12  1  0.55  0.18  0.96  1.0
  F  F13  1  0.03  0.18  0.29  1.0

data_VZnF5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   7.58
_cell_angle_alpha   98.18
_cell_angle_beta   110.09
_cell_angle_gamma   108.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnF5
_chemical_formula_sum   'V2 Zn2 F10'
_cell_volume   186.36
_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
  V  V0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.88  0.0  0.58  1.0
  Zn  Zn2  1  0.67  0.84  0.88  1.0
  Zn  Zn3  1  0.78  0.16  0.29  1.0
  F  F4  1  0.6  0.82  0.04  1.0
  F  F5  1  0.62  0.22  0.27  1.0
  F  F6  1  0.67  0.59  0.88  1.0
  F  F7  1  0.71  0.18  0.46  1.0
  F  F8  1  0.72  0.22  0.49  1.0
  F  F9  1  0.73  0.78  0.68  1.0
  F  F10  1  0.74  0.82  0.71  1.0
  F  F11  1  0.78  0.41  0.29  1.0
  F  F12  1  0.83  0.78  0.9  1.0
  F  F13  1  0.85  0.18  0.12  1.0

V V Zn Zn F F F F F F F F F F