data_[Mg2Ta4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [4.7783]
_cell_length_b [4.7783]
_cell_length_c [9.2644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [MgTa2O6]
_chemical_formula_sum '[Mg2 Ta4 O12]'
_cell_volume [211.5294]
_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  0.0000  1.0
  Ta  Ta1  4  0.0000  0.0000  0.3320  1.0
  O  O2  8  0.2026  0.7974  0.1763  1.0
  O  O3  4  0.1889  0.8111  0.5000  1.0
]