data_[Mg4V12O28]
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 [Pnma]
_cell_length_a [10.2309]
_cell_length_b [10.2343]
_cell_length_c [5.3329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MgV3O7]
_chemical_formula_sum '[Mg4 V12 O28]'
_cell_volume [558.3890]
_cell_formula_units_Z [4]
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  0.0781  0.2500  0.8453  1
  V  V1  8  0.1828  0.5273  0.2972  1
  V  V2  4  0.2177  0.7500  0.8081  1
  O  O3  8  0.0357  0.5957  0.2786  1
  O  O4  8  0.2121  0.1209  0.0572  1
  O  O5  8  0.2127  0.1184  0.5412  1
  O  O6  4  0.0556  0.7500  0.8337  1
]