data_[Mg2V8O16]
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 [Imm2]
_cell_length_a [6.0576]
_cell_length_b [6.1678]
_cell_length_c [8.2255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [MgV4O8]
_chemical_formula_sum '[Mg2 V8 O16]'
_cell_volume [307.3218]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.8764  1.0
  V  V1  4  0.0000  0.2536  0.4947  1.0
  V  V2  4  0.2461  0.0000  0.2603  1.0
  O  O3  4  0.0000  0.2088  0.2560  1.0
  O  O4  4  0.0000  0.2773  0.7436  1.0
  O  O5  4  0.2243  0.0000  0.4807  1.0
  O  O6  4  0.2275  0.5000  0.5141  1.0
]