data_[Sc18Mn3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2166]
_cell_length_b [9.2166]
_cell_length_c [8.7331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sc6MnO12]
_chemical_formula_sum '[Sc18 Mn3 O36]'
_cell_volume [642.4558]
_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
[
  Sc  Sc0  18  0.0525  0.7891  0.6532  1
  Mn  Mn1  3  0.0000  0.0000  0.0000  1
  O  O2  18  0.0371  0.8179  0.3984  1
  O  O3  18  0.0396  0.8405  0.8897  1
]