data_[Mn2Fe4Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0145]
_cell_length_b [10.3667]
_cell_length_c [5.0185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(FeSb4)2]
_chemical_formula_sum '[Mn2 Fe4 Sb16]'
_cell_volume [572.6759]
_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
  Fe  Fe1  4  0.2089  0.0000  0.2282  1
  Sb  Sb2  8  0.0820  0.2053  0.2685  1
  Sb  Sb3  4  0.0669  0.5000  0.7588  1
  Sb  Sb4  4  0.1999  0.0000  0.7268  1
]