data_[Mn9Cu9O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [R-3m]
_cell_length_a [5.9906]
_cell_length_b [5.9906]
_cell_length_c [14.5164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mn3Cu3O8]
_chemical_formula_sum '[Mn9 Cu9 O24]'
_cell_volume [451.1527]
_cell_formula_units_Z [3]
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
[
  Mn  Mn0  9  0.0000  0.5000  0.0000  1
  Cu  Cu1  6  0.0000  0.0000  0.1219  1
  Cu  Cu2  3  -0.0000  -0.0000  0.5000  1
  O  O3  18  0.0287  0.5143  0.2582  1
  O  O4  6  0.0000  0.0000  0.2583  1
]