data_VF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   5.57
_cell_angle_alpha   114.68
_cell_angle_beta   114.68
_cell_angle_gamma   50.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VF4
_chemical_formula_sum   'V2 F8'
_cell_volume   162.3
_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  0.64  0.64  0.49  1.0
  V  V1  1  0.93  0.36  0.02  1.0
  F  F2  1  0.04  0.54  0.05  1.0
  F  F3  1  0.17  0.56  0.26  1.0
  F  F4  1  0.22  0.47  0.86  1.0
  F  F5  1  0.5  0.53  0.39  1.0
  F  F6  1  0.03  0.5  0.69  1.0
  F  F7  1  0.31  0.5  0.22  1.0
  F  F8  1  0.75  0.46  0.52  1.0
  F  F9  1  0.88  0.44  0.72  1.0

data_VF4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.56
_cell_length_b   5.57
_cell_length_c   6.53
_cell_angle_alpha   114.68
_cell_angle_beta   115.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VF4
_chemical_formula_sum   'V2 F8'
_cell_volume   162.3
_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  0.36  0.02  0.29  1.0
  V  V1  1  0.64  0.49  0.29  1.0
  F  F2  1  0.44  0.72  0.32  1.0
  F  F3  1  0.46  0.52  0.21  1.0
  F  F4  1  0.47  0.86  0.69  1.0
  F  F5  1  0.5  0.69  0.53  1.0
  F  F6  1  0.5  0.22  0.82  1.0
  F  F7  1  0.53  0.39  0.03  1.0
  F  F8  1  0.54  0.05  0.58  1.0
  F  F9  1  0.56  0.26  0.73  1.0

V V F F F F F F F F
V V F F F F F F F F 0 8 o o o 0 5 o o o 1 9 o o - 1 2 + o o 2 3 o o o 3 7 o o o 4 6 o o o 5 7 o o o 5 8 o o o 6 9 - o o 8 9 o o o 