data_[Hf8Mn4Ge8]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3068]
_cell_length_b [14.7993]
_cell_length_c [5.5834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf2MnGe2]
_chemical_formula_sum '[Hf8 Mn4 Ge8]'
_cell_volume [355.8773]
_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  4  0.0000  0.0000  0.0000  1
  Hf  Hf1  4  0.0000  0.2012  0.7500  1
  Mn  Mn2  4  0.0000  0.4024  0.7500  1
  Ge  Ge3  4  0.0000  0.1778  0.2500  1
  Ge  Ge4  4  0.0000  0.4217  0.2500  1
]