data_[Mn2V4O12]
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/m]
_cell_length_a [10.1728]
_cell_length_b [3.5966]
_cell_length_c [7.0988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MnV2O6]
_chemical_formula_sum '[Mn2 V4 O12]'
_cell_volume [256.0537]
_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
[
  Mn  Mn0  2  0.0000  0.0000  0.5000  1.0
  V  V1  4  0.2481  0.5000  0.8151  1.0
  O  O2  4  0.1109  0.0000  0.2751  1.0
  O  O3  4  0.1153  0.5000  0.6302  1.0
  O  O4  4  0.2307  0.0000  0.8932  1.0
]