data_[Mn4V4O14]
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 [6.5391]
_cell_length_b [8.9851]
_cell_length_c [5.1011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2V2O7]
_chemical_formula_sum '[Mn4 V4 O14]'
_cell_volume [293.0352]
_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  4  0.0000  0.1873  0.0000  1.0
  V  V1  4  0.2449  0.5000  0.3963  1.0
  O  O2  8  0.2297  0.3379  0.2065  1.0
  O  O3  4  0.0805  0.0000  0.2831  1.0
  O  O4  2  0.0000  0.5000  0.5000  1.0
]