data_[Mg1V3O1F11]
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 [5.2523]
_cell_length_b [6.0292]
_cell_length_c [7.3328]
_cell_angle_alpha [94.8199]
_cell_angle_beta [101.0260]
_cell_angle_gamma [95.5771]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV3OF11]
_chemical_formula_sum '[Mg1 V3 O1 F11]'
_cell_volume [225.5919]
_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  0.1074  0.4989  0.1972  1.0
  V  V1  1  0.4068  0.8268  0.6428  1.0
  V  V2  1  0.5968  0.1586  0.3749  1.0
  V  V3  1  0.9775  0.0088  0.9854  1.0
  O  O4  1  0.6806  0.9873  0.8393  1.0
  F  F5  1  0.1171  0.3051  0.9617  1.0
  F  F6  1  0.1451  0.6796  0.4399  1.0
  F  F7  1  0.1472  0.8641  0.7934  1.0
  F  F8  1  0.3245  0.9904  0.1583  1.0
  F  F9  1  0.3356  0.1050  0.5486  1.0
  F  F10  1  0.4595  0.4216  0.2807  1.0
  F  F11  1  0.4911  0.5710  0.7179  1.0
  F  F12  1  0.6428  0.8558  0.4662  1.0
  F  F13  1  0.8483  0.3058  0.5615  1.0
  F  F14  1  0.8810  0.1889  0.2059  1.0
  F  F15  1  0.9100  0.7168  0.0745  1.0
]