data_[Ta2Mn6O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [5.1840]
_cell_length_b [5.3901]
_cell_length_c [9.5302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TaMn3O6]
_chemical_formula_sum '[Ta2 Mn6 O12]'
_cell_volume [226.1907]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.2767  0.5527  0.2561  1.0
  Mn  Mn2  2  0.5000  0.0000  0.5000  1.0
  O  O3  4  0.0994  0.5600  0.7292  1.0
  O  O4  4  0.2759  0.1987  0.5780  1.0
  O  O5  4  0.3690  0.7023  0.5594  1.0
]