data_[Mn2V12Mo10]
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 [Immm]
_cell_length_a [4.3010]
_cell_length_b [6.0841]
_cell_length_c [12.9444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [MnV6Mo5]
_chemical_formula_sum '[Mn2 V12 Mo10]'
_cell_volume [338.7291]
_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  0.0000  1
  V  V1  8  0.0000  0.2474  0.1641  1
  V  V2  4  0.0000  0.2553  0.5000  1
  Mo  Mo3  4  0.0000  0.0000  0.3334  1
  Mo  Mo4  4  0.0000  0.5000  0.3356  1
  Mo  Mo5  2  0.0000  0.5000  0.0000  1
]