data_[Mg1V2Te2O7F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0014]
_cell_length_b [5.6307]
_cell_length_c [7.3912]
_cell_angle_alpha [71.4577]
_cell_angle_beta [85.7852]
_cell_angle_gamma [79.0618]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV2Te2O7F2]
_chemical_formula_sum '[Mg1 V2 Te2 O7 F2]'
_cell_volume [193.7373]
_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
[
  Mg  Mg0  1  0.2589  0.0545  0.0155  1
  V  V1  1  0.2191  0.9975  0.6335  1
  V  V2  1  0.7630  0.9964  0.3609  1
  Te  Te3  1  0.2294  0.4805  0.2181  1
  Te  Te4  1  0.7558  0.5269  0.8063  1
  O  O5  1  0.0013  0.8387  0.1993  1
  O  O6  1  0.0149  0.4547  0.0120  1
  O  O7  1  0.0211  0.2388  0.3827  1
  O  O8  1  0.0608  0.2164  0.7720  1
  O  O9  1  0.4599  0.7912  0.8836  1
  O  O10  1  0.5014  0.1887  0.1471  1
  O  O11  1  0.9374  0.7883  0.6281  1
  F  F12  1  0.4719  0.7669  0.4847  1
  F  F13  1  0.5175  0.1958  0.5211  1
]