data_[Mg1V4O7F5]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1825]
_cell_length_b [5.3610]
_cell_length_c [9.0328]
_cell_angle_alpha [72.8162]
_cell_angle_beta [89.5484]
_cell_angle_gamma [62.3799]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV4O7F5]
_chemical_formula_sum '[Mg1 V4 O7 F5]'
_cell_volume [209.9549]
_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  0.4357  0.1224  0.1474  1.0
  V  V1  1  0.2524  0.5450  0.7464  1.0
  V  V2  1  0.5413  0.9955  0.5058  1.0
  V  V3  1  0.7767  0.4566  0.2427  1.0
  V  V4  1  0.9445  0.0062  0.9900  1.0
  O  O5  1  0.0262  0.7823  0.8787  1.0
  O  O6  1  0.4037  0.7614  0.6650  1.0
  O  O7  1  0.5565  0.2658  0.3090  1.0
  O  O8  1  0.5618  0.2694  0.9358  1.0
  O  O9  1  0.8947  0.7898  0.1628  1.0
  O  O10  1  0.8985  0.7721  0.5834  1.0
  O  O11  1  0.9952  0.2671  0.1241  1.0
  F  F12  1  0.0728  0.2724  0.8379  1.0
  F  F13  1  0.0749  0.2454  0.4241  1.0
  F  F14  1  0.4149  0.7871  0.0809  1.0
  F  F15  1  0.4508  0.2695  0.6237  1.0
  F  F16  1  0.5246  0.7794  0.3587  1.0
]