data_[Mn9Cr9O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0890]
_cell_length_b [6.0890]
_cell_length_c [14.9719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mn3Cr3O8]
_chemical_formula_sum '[Mn9 Cr9 O24]'
_cell_volume [480.7212]
_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  6  0.0000  0.0000  0.3753  1.0
  Mn  Mn1  3  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  9  0.0000  0.5000  0.5000  1.0
  O  O3  18  0.0323  0.5161  0.7562  1.0
  O  O4  6  0.0000  0.0000  0.2363  1.0
]