data_[Ba6Ta8Mn2O30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P4/mbm]
_cell_length_a [12.5283]
_cell_length_b [12.5283]
_cell_length_c [3.9729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ba3Ta4MnO15]
_chemical_formula_sum '[Ba6 Ta8 Mn2 O30]'
_cell_volume [623.5796]
_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
[
  Ba  Ba0  4  0.1610  0.6610  0.0000  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Ta  Ta2  8  0.0744  0.2177  0.5000  1
  Mn  Mn3  2  0.0000  0.5000  0.5000  1
  O  O4  8  0.0048  0.6519  0.5000  1
  O  O5  8  0.0676  0.8574  0.5000  1
  O  O6  8  0.0779  0.2081  0.0000  1
  O  O7  4  0.2208  0.2792  0.5000  1
  O  O8  2  0.0000  0.5000  0.0000  1
]