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 [5.1707]
_cell_length_b [5.3974]
_cell_length_c [8.8908]
_cell_angle_alpha [106.7855]
_cell_angle_beta [90.5353]
_cell_angle_gamma [117.8049]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV4O7F5]
_chemical_formula_sum '[Mg1 V4 O7 F5]'
_cell_volume [207.0644]
_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  0.4657  0.9124  0.1548  1
  V  V1  1  0.2001  0.4514  0.7356  1
  V  V2  1  0.4839  0.9309  0.5044  1
  V  V3  1  0.7982  0.5509  0.2442  1
  V  V4  1  0.9961  0.0271  0.9897  1
  O  O5  1  0.1966  0.2213  0.8722  1
  O  O6  1  0.2111  0.7590  0.3140  1
  O  O7  1  0.2873  0.7460  0.6238  1
  O  O8  1  0.6859  0.7624  0.4316  1
  O  O9  1  0.7576  0.7506  0.1302  1
  O  O10  1  0.7984  0.2306  0.0811  1
  O  O11  1  0.8312  0.2587  0.6656  1
  F  F12  1  0.1781  0.7358  0.9440  1
  F  F13  1  0.3209  0.2275  0.1754  1
  F  F14  1  0.3275  0.2371  0.5715  1
  F  F15  1  0.6437  0.7248  0.8294  1
  F  F16  1  0.7114  0.2484  0.3644  1
]