data_[Mn4V12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/c]
_cell_length_a [14.4336]
_cell_length_b [7.0629]
_cell_length_c [10.4382]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnV3O9]
_chemical_formula_sum '[Mn4 V12 O36]'
_cell_volume [838.7330]
_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
[
  Mn  Mn0  4  0.2500  0.2500  0.0000  1
  V  V1  8  0.1230  0.0943  0.1884  1
  V  V2  4  0.0000  0.4733  0.2500  1
  O  O3  8  0.0720  0.3313  0.1990  1
  O  O4  8  0.1053  0.3917  0.9112  1
  O  O5  8  0.1597  0.0464  0.8480  1
  O  O6  8  0.2331  0.1271  0.1810  1
  O  O7  4  0.0000  0.0000  0.0000  1
]