data_[Mn2V13]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9007]
_cell_length_b [6.6451]
_cell_length_c [6.6671]
_cell_angle_alpha [66.1067]
_cell_angle_beta [81.6834]
_cell_angle_gamma [80.9794]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn2V13]
_chemical_formula_sum '[Mn2 V13]'
_cell_volume [195.2639]
_cell_formula_units_Z [1]
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  0.1345  0.7989  0.4671  1.0
  V  V1  2  0.0646  0.4022  0.7280  1.0
  V  V2  2  0.1962  0.1959  0.2073  1.0
  V  V3  2  0.2673  0.5985  0.9359  1.0
  V  V4  2  0.3219  0.0007  0.6634  1.0
  V  V5  2  0.4140  0.3941  0.4020  1.0
  V  V6  2  0.4622  0.8010  0.1376  1.0
  V  V7  1  0.0000  0.0000  0.0000  1.0
]