data_[Hf10Nb4Ge10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4271]
_cell_length_b [3.7246]
_cell_length_c [11.0226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5Nb2Ge5]
_chemical_formula_sum '[Hf10 Nb4 Ge10]'
_cell_volume [482.4053]
_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
[
  Hf  Hf0  4  0.1649  0.5000  0.0451  1
  Hf  Hf1  4  0.2311  0.5000  0.3450  1
  Hf  Hf2  2  0.0000  0.5000  0.5000  1
  Nb  Nb3  4  0.0345  0.0000  0.7889  1
  Ge  Ge4  4  0.1192  0.0000  0.4281  1
  Ge  Ge5  4  0.1816  0.5000  0.7858  1
  Ge  Ge6  2  0.0000  0.0000  0.0000  1
]