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 [Pmn2_1]
_cell_length_a [7.6087]
_cell_length_b [5.5110]
_cell_length_c [5.2295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [MgTa2O6]
_chemical_formula_sum '[Mg2 Ta4 O12]'
_cell_volume [219.2816]
_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  0.6789  0.0246  1.0
  Ta  Ta1  4  0.2484  0.2394  0.0095  1.0
  O  O2  4  0.1847  0.9311  0.1759  1.0
  O  O3  4  0.1990  0.4701  0.2811  1.0
  O  O4  2  0.0000  0.2908  0.9153  1.0
  O  O5  2  0.0000  0.7739  0.6378  1.0
]