data_[Mg4V18O26]
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 [C2/m]
_cell_length_a [10.1934]
_cell_length_b [2.9429]
_cell_length_c [17.2986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2V9O13]
_chemical_formula_sum '[Mg4 V18 O26]'
_cell_volume [512.2241]
_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  4  0.2125  0.0000  0.2304  1
  V  V1  4  0.0114  0.0000  0.6700  1
  V  V2  4  0.0682  0.0000  0.8725  1
  V  V3  4  0.1462  0.5000  0.0434  1
  V  V4  4  0.2486  0.5000  0.4158  1
  V  V5  2  0.0000  0.5000  0.5000  1
  O  O6  4  0.0755  0.5000  0.1500  1
  O  O7  4  0.1170  0.5000  0.6143  1
  O  O8  4  0.1224  0.5000  0.3087  1
  O  O9  4  0.1280  0.0000  0.4615  1
  O  O10  4  0.1476  0.0000  0.7709  1
  O  O11  4  0.2035  0.5000  0.9270  1
  O  O12  2  0.0000  0.0000  0.0000  1
]