data_[Mg4Ta2V2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2222]
_cell_length_b [7.5551]
_cell_length_c [5.4450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg2TaVO6]
_chemical_formula_sum '[Mg4 Ta2 V2 O12]'
_cell_volume [214.8263]
_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  0.0042  0.7500  0.0420  1.0
  Mg  Mg1  2  0.4832  0.7500  0.5651  1.0
  Ta  Ta2  2  0.0000  0.0000  0.5000  1.0
  V  V3  2  0.5000  0.0000  0.0000  1.0
  O  O4  4  0.1716  0.5693  0.8113  1.0
  O  O5  4  0.3132  0.5692  0.3211  1.0
  O  O6  2  0.1358  0.2500  0.5568  1.0
  O  O7  2  0.3824  0.2500  0.0581  1.0
]