data_[Mg2V8O20]
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 [Amm2]
_cell_length_a [11.3464]
_cell_length_b [3.6637]
_cell_length_c [10.2817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgV4O10]
_chemical_formula_sum '[Mg2 V8 O20]'
_cell_volume [427.4090]
_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  0.5000  0.0000  0.8919  1.0
  V  V1  4  0.1492  0.0000  0.7929  1.0
  V  V2  4  0.3497  0.0000  0.1982  1.0
  O  O3  4  0.1333  0.0000  0.9479  1.0
  O  O4  4  0.1803  0.0000  0.2452  1.0
  O  O5  4  0.3265  0.0000  0.7619  1.0
  O  O6  4  0.3792  0.0000  0.0391  1.0
  O  O7  2  0.0000  0.0000  0.7293  1.0
  O  O8  2  0.5000  0.0000  0.2998  1.0
]