data_[Ti2Mn10O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0771]
_cell_length_b [8.8009]
_cell_length_c [10.1635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiMn5O12]
_chemical_formula_sum '[Ti2 Mn10 O24]'
_cell_volume [454.1363]
_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
[
  Ti  Ti0  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.0000  0.1667  0.5000  1.0
  Mn  Mn2  4  0.0000  0.3333  0.0000  1.0
  Mn  Mn3  2  0.0000  0.5000  0.5000  1.0
  O  O4  8  0.1664  0.3334  0.4064  1.0
  O  O5  8  0.1698  0.1697  0.0951  1.0
  O  O6  4  0.1609  0.5000  0.0952  1.0
  O  O7  4  0.1663  0.0000  0.4063  1.0
]