data_[Mn4V12Mo4]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9645]
_cell_length_b [7.2825]
_cell_length_c [7.7710]
_cell_angle_alpha [81.5406]
_cell_angle_beta [79.3259]
_cell_angle_gamma [75.8600]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnV3Mo]
_chemical_formula_sum '[Mn4 V12 Mo4]'
_cell_volume [266.1917]
_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  2  0.1799  0.8559  0.2214  1
  Mn  Mn1  2  0.2731  0.0486  0.9273  1
  V  V2  2  0.0316  0.5573  0.1685  1
  V  V3  2  0.1180  0.7616  0.8851  1
  V  V4  2  0.2181  0.9552  0.5811  1
  V  V5  2  0.3320  0.1400  0.2668  1
  V  V6  2  0.3723  0.2412  0.6319  1
  V  V7  2  0.4240  0.3398  0.9715  1
  Mo  Mo8  2  0.0758  0.6557  0.5265  1
  Mo  Mo9  2  0.4795  0.4496  0.3163  1
]