data_[Mn8V4Fe24]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.7925]
_cell_length_b [11.2994]
_cell_length_c [4.7122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2VFe6]
_chemical_formula_sum '[Mn8 V4 Fe24]'
_cell_volume [410.0432]
_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  8  0.2366  0.1813  0.8088  1
  V  V1  4  0.0000  0.0614  0.7500  1
  Fe  Fe2  8  0.0274  0.3105  0.5138  1
  Fe  Fe3  8  0.1504  0.1345  0.2907  1
  Fe  Fe4  8  0.1532  0.4970  0.8879  1
]