data_[Ba2Mn8Cu6O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.5230]
_cell_length_b [7.5230]
_cell_length_c [7.5230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [BaMn4(CuO4)3]
_chemical_formula_sum '[Ba2 Mn8 Cu6 O24]'
_cell_volume [425.7624]
_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  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  8  0.2500  0.2500  0.2500  1.0
  Cu  Cu2  6  0.0000  0.0000  0.5000  1.0
  O  O3  24  0.0000  0.1756  0.3188  1.0
]