data_[Li2Ta2Mn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.0857]
_cell_length_b [8.8652]
_cell_length_c [4.1618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiTaMnO6]
_chemical_formula_sum '[Li2 Ta2 Mn2 O12]'
_cell_volume [187.5286]
_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
[
  Li  Li0  2  0.0000  0.4840  0.0000  1
  Ta  Ta1  2  0.0000  0.8191  0.5000  1
  Mn  Mn2  2  0.0000  0.1481  0.5000  1
  O  O3  4  0.1671  0.9877  0.7276  1
  O  O4  4  0.1793  0.2957  0.7591  1
  O  O5  4  0.1998  0.6613  0.7597  1
]