data_[Ta16Mn24O64]
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 [I4_1/a]
_cell_length_a [11.2511]
_cell_length_b [11.2511]
_cell_length_c [9.8169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [88]
_chemical_formula_structural [Ta2Mn3O8]
_chemical_formula_sum '[Ta16 Mn24 O64]'
_cell_volume [1242.6807]
_cell_formula_units_Z [8]
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  16  0.0768  0.1933  0.2544  1
  Mn  Mn1  16  0.1203  0.2053  0.7180  1
  Mn  Mn2  4  0.0000  0.0000  0.0000  1
  Mn  Mn3  4  0.0000  0.0000  0.5000  1
  O  O4  16  0.0386  0.3538  0.1435  1
  O  O5  16  0.0476  0.3705  0.5883  1
  O  O6  16  0.0594  0.3032  0.8745  1
  O  O7  16  0.1823  0.2873  0.3687  1
]