data_[Ti2Mn2V8O24]
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
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.6694]
_cell_length_b [9.1757]
_cell_length_c [5.6544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TiMnV4O12]
_chemical_formula_sum '[Ti2 Mn2 V8 O24]'
_cell_volume [528.0243]
_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  0.9022  0.5000  1.0
  Mn  Mn1  2  0.0000  0.1005  0.0000  1.0
  V  V2  4  0.2214  0.4096  0.0558  1.0
  V  V3  4  0.2291  0.6107  0.5749  1.0
  O  O4  4  0.1039  0.0685  0.3947  1.0
  O  O5  4  0.1062  0.9318  0.8569  1.0
  O  O6  4  0.1259  0.7689  0.4732  1.0
  O  O7  4  0.1602  0.4710  0.7495  1.0
  O  O8  4  0.1639  0.5129  0.2545  1.0
  O  O9  4  0.1805  0.2253  0.0815  1.0
]