data_[Mg1V4O8F4]
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 [5.0733]
_cell_length_b [5.4160]
_cell_length_c [8.9885]
_cell_angle_alpha [82.1623]
_cell_angle_beta [77.6230]
_cell_angle_gamma [66.6778]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV4(O2F)4]
_chemical_formula_sum '[Mg1 V4 O8 F4]'
_cell_volume [221.1608]
_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  0.8125  0.9743  0.3435  1.0
  V  V1  1  0.0394  0.9802  0.9888  1.0
  V  V2  1  0.1483  0.3981  0.2397  1.0
  V  V3  1  0.4743  0.5092  0.5093  1.0
  V  V4  1  0.8187  0.6236  0.7784  1.0
  O  O5  1  0.0802  0.1458  0.1718  1.0
  O  O6  1  0.1253  0.4873  0.6477  1.0
  O  O7  1  0.2072  0.6267  0.0995  1.0
  O  O8  1  0.4205  0.3043  0.3575  1.0
  O  O9  1  0.5620  0.6375  0.6537  1.0
  O  O10  1  0.8212  0.5802  0.3590  1.0
  O  O11  1  0.8407  0.3718  0.9137  1.0
  O  O12  1  0.9562  0.8554  0.8450  1.0
  F  F13  1  0.2209  0.8150  0.4095  1.0
  F  F14  1  0.4289  0.9356  0.8819  1.0
  F  F15  1  0.6876  0.0057  0.1315  1.0
  F  F16  1  0.7312  0.1367  0.5480  1.0
]