data_[Hf20Mn4Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [10.9723]
_cell_length_b [10.9723]
_cell_length_c [5.5830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Hf5MnSb2]
_chemical_formula_sum '[Hf20 Mn4 Sb8]'
_cell_volume [672.1439]
_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
[
  Hf  Hf0  16  0.0697  0.1992  0.5000  1.0
  Hf  Hf1  4  0.0000  0.5000  0.2500  1.0
  Mn  Mn2  4  0.0000  0.0000  0.2500  1.0
  Sb  Sb3  8  0.1643  0.3357  0.0000  1.0
]