data_[Mg1V5O12]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0173]
_cell_length_b [5.1237]
_cell_length_c [9.1397]
_cell_angle_alpha [93.8348]
_cell_angle_beta [90.4389]
_cell_angle_gamma [109.7412]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgV5O12]
_chemical_formula_sum '[Mg1 V5 O12]'
_cell_volume [220.5344]
_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  0.3658  0.1480  0.5189  1.0
  V  V1  1  0.3798  0.5954  0.7622  1.0
  V  V2  1  0.5120  0.0496  0.9671  1.0
  V  V3  1  0.5383  0.3995  0.2272  1.0
  V  V4  1  0.9368  0.0485  0.2608  1.0
  V  V5  1  0.9855  0.5230  0.5186  1.0
  O  O6  1  0.1252  0.3036  0.6526  1.0
  O  O7  1  0.2010  0.7022  0.9022  1.0
  O  O8  1  0.2269  0.3712  0.3652  1.0
  O  O9  1  0.2546  0.0973  0.1261  1.0
  O  O10  1  0.3127  0.8010  0.6153  1.0
  O  O11  1  0.4721  0.3015  0.8684  1.0
  O  O12  1  0.6138  0.7263  0.1629  1.0
  O  O13  1  0.6877  0.5100  0.6158  1.0
  O  O14  1  0.6916  0.2173  0.3750  1.0
  O  O15  1  0.6979  0.8874  0.8468  1.0
  O  O16  1  0.7882  0.2450  0.1042  1.0
  O  O17  1  0.9940  0.8143  0.3821  1.0
]