data_[Ti4Mn4O14]
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 [6.1955]
_cell_length_b [8.9014]
_cell_length_c [5.1505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2313]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Mn2O7]
_chemical_formula_sum '[Ti4 Mn4 O14]'
_cell_volume [282.3630]
_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  4  0.2337  0.5000  0.6052  1.0
  Mn  Mn1  4  0.0000  0.3140  0.0000  1.0
  O  O2  8  0.2460  0.1776  0.2002  1.0
  O  O3  4  0.0778  0.5000  0.2647  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
]