data_VPbOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   9.99
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPbOF5
_chemical_formula_sum   'V4 Pb4 O4 F20'
_cell_volume   476.88
_cell_formula_units_Z   4
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  0.54  0.51  0.37  1.0
  V  V1  1  0.49  0.48  0.12  1.0
  V  V2  1  0.54  0.47  0.12  1.0
  V  V3  1  0.49  0.52  0.37  1.0
  Pb  Pb4  1  0.25  0.5  0.0  1.0
  Pb  Pb5  1  0.78  0.49  0.74  1.0
  Pb  Pb6  1  0.78  0.49  0.0  1.0
  Pb  Pb7  1  0.25  0.5  0.74  1.0
  O  O8  1  0.34  0.47  0.37  1.0
  O  O9  1  0.69  0.52  0.12  1.0
  O  O10  1  0.34  0.52  0.12  1.0
  O  O11  1  0.69  0.47  0.37  1.0
  F  F12  1  0.84  0.1  0.12  1.0
  F  F13  1  0.19  0.9  0.37  1.0
  F  F14  1  0.84  0.9  0.37  1.0
  F  F15  1  0.19  0.09  0.12  1.0
  F  F16  1  0.1  0.7  0.07  1.0
  F  F17  1  0.93  0.29  0.81  1.0
  F  F18  1  0.1  0.29  0.42  1.0
  F  F19  1  0.93  0.7  0.68  1.0
  F  F20  1  0.93  0.29  0.42  1.0
  F  F21  1  0.1  0.7  0.68  1.0
  F  F22  1  0.93  0.7  0.07  1.0
  F  F23  1  0.1  0.29  0.81  1.0
  F  F24  1  0.59  0.7  0.05  1.0
  F  F25  1  0.44  0.29  0.8  1.0
  F  F26  1  0.59  0.3  0.44  1.0
  F  F27  1  0.44  0.7  0.69  1.0
  F  F28  1  0.44  0.29  0.44  1.0
  F  F29  1  0.59  0.7  0.69  1.0
  F  F30  1  0.44  0.7  0.05  1.0
  F  F31  1  0.59  0.3  0.8  1.0

data_VPbOF5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   9.49
_cell_length_b   5.03
_cell_length_c   9.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VPbOF5
_chemical_formula_sum   'V4 Pb4 O4 F20'
_cell_volume   476.88
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.63  0.48  0.49  1.0
  V  V1  2  0.88  0.48  0.52  1.0
  Pb  Pb2  2  -0.0  0.23  0.5  1.0
  Pb  Pb3  2  0.26  0.23  0.51  1.0
  O  O4  2  0.63  0.33  0.53  1.0
  O  O5  2  0.88  0.33  0.48  1.0
  F  F6  2  0.19  0.08  0.71  1.0
  F  F7  2  0.2  0.43  0.71  1.0
  F  F8  2  0.31  0.43  0.3  1.0
  F  F9  2  0.32  0.08  0.3  1.0
  F  F10  2  0.56  0.43  0.7  1.0
  F  F11  2  0.58  0.08  0.71  1.0
  F  F12  2  0.63  0.18  0.1  1.0
  F  F13  2  0.88  0.18  0.9  1.0
  F  F14  2  0.93  0.08  0.3  1.0
  F  F15  2  0.95  0.43  0.3  1.0

V V V V Pb Pb Pb Pb O O O O F F F F F F F F F F F F F F F F F F F F