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 [C2/m]
_cell_length_a [10.0294]
_cell_length_b [3.9513]
_cell_length_c [9.6558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2MnGe2]
_chemical_formula_sum '[Hf8 Mn4 Ge8]'
_cell_volume [337.0658]
_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  0.0026  0.0000  0.3284  1.0
  Hf  Hf1  4  0.1871  0.0000  0.1043  1.0
  Mn  Mn2  4  0.2182  0.5000  0.3692  1.0
  Ge  Ge3  4  0.0201  0.5000  0.8763  1.0
  Ge  Ge4  4  0.1454  0.5000  0.5746  1.0
]