data_[Mg2Nb4V4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  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 [9.5023]
_cell_length_b [6.2855]
_cell_length_c [6.8003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.3530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgNb2V2O8]
_chemical_formula_sum '[Mg2 Nb4 V4 O16]'
_cell_volume [300.1546]
_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  0.5000  1
  Nb  Nb1  4  0.1811  0.5000  0.4529  1
  V  V2  4  0.2500  0.2500  0.0000  1
  O  O3  8  0.0631  0.2154  0.3316  1
  O  O4  4  0.2147  0.5000  0.7641  1
  O  O5  4  0.2229  0.5000  0.1896  1
]