data_[Mg1V2P2O8F2]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1733]
_cell_length_b [5.4717]
_cell_length_c [7.4031]
_cell_angle_alpha [110.9015]
_cell_angle_beta [108.8140]
_cell_angle_gamma [90.0138]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgV2P2(O4F)2]
_chemical_formula_sum '[Mg1 V2 P2 O8 F2]'
_cell_volume [183.7258]
_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  0.0000  0.0000  0.0000  1
  V  V1  1  0.0000  0.5000  0.0000  1
  V  V2  1  0.5000  0.0000  0.5000  1
  P  P3  2  0.3879  0.6207  0.7460  1
  O  O4  2  0.1929  0.6799  0.8766  1
  O  O5  2  0.3066  0.3031  0.0952  1
  O  O6  2  0.3373  0.8062  0.6294  1
  O  O7  2  0.3378  0.3273  0.6137  1
  F  F8  2  0.1428  0.8642  0.2347  1
]