data_[Tm12Mn4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [7.3210]
_cell_length_b [10.2669]
_cell_length_c [7.2449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [Tm3MnO7]
_chemical_formula_sum '[Tm12 Mn4 O28]'
_cell_volume [544.5598]
_cell_formula_units_Z [4]
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
[
  Tm  Tm0  8  0.2325  0.2281  0.2444  1
  Tm  Tm1  4  0.0308  0.5000  0.0000  1
  Mn  Mn2  4  0.0036  0.0000  0.5000  1
  O  O3  8  0.1919  0.1230  0.9642  1
  O  O4  8  0.2028  0.1235  0.5266  1
  O  O5  4  0.0000  0.0710  0.2500  1
  O  O6  4  0.0000  0.3642  0.2500  1
  O  O7  4  0.0000  0.3694  0.7500  1
]