data_V2Te2O7F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.75
_cell_length_c   6.97
_cell_angle_alpha   89.33
_cell_angle_beta   73.17
_cell_angle_gamma   86.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Te2O7F2
_chemical_formula_sum   'V2 Te2 O7 F2'
_cell_volume   148.83
_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
  V  V11  1  0.35  0.12  0.25  1.0
  V  V12  1  0.63  0.6  0.42  1.0
  Te  Te9  1  0.96  0.36  0.04  1.0
  Te  Te10  1  0.02  0.35  0.63  1.0
  O  O2  1  0.18  0.58  0.31  1.0
  O  O3  1  0.8  0.14  0.35  1.0
  O  O4  1  0.0  0.0  0.0  1.0
  O  O5  1  0.92  0.4  0.97  1.0
  O  O6  1  0.06  0.32  0.7  1.0
  O  O7  1  0.85  0.38  0.53  1.0
  O  O8  1  0.13  0.34  0.14  1.0
  F  F0  1  0.66  0.78  0.45  1.0
  F  F1  1  0.32  0.93  0.22  1.0

data_V2Te2O7F2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   4.75
_cell_length_c   6.97
_cell_angle_alpha   89.33
_cell_angle_beta   73.17
_cell_angle_gamma   86.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Te2O7F2
_chemical_formula_sum   'V2 Te2 O7 F2'
_cell_volume   148.83
_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
  V  V0  1  0.35  0.12  0.25  1.0
  V  V1  1  0.63  0.6  0.42  1.0
  Te  Te2  1  0.02  0.35  0.63  1.0
  Te  Te3  1  0.96  0.36  0.04  1.0
  O  O4  1  0.0  0.0  0.0  1.0
  O  O5  1  0.06  0.32  0.7  1.0
  O  O6  1  0.13  0.34  0.14  1.0
  O  O7  1  0.18  0.58  0.31  1.0
  O  O8  1  0.8  0.14  0.35  1.0
  O  O9  1  0.85  0.38  0.53  1.0
  O  O10  1  0.92  0.4  0.97  1.0
  F  F11  1  0.32  0.93  0.22  1.0
  F  F12  1  0.66  0.78  0.45  1.0

V V Te Te O O O O O O O F F