data_[Hf10Ta2Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0279]
_cell_length_b [3.6639]
_cell_length_c [6.7885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf5TaGe4]
_chemical_formula_sum '[Hf10 Ta2 Ge8]'
_cell_volume [414.8902]
_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  0.1872  0.0000  0.0802  1
  Hf  Hf1  4  0.1959  0.0000  0.6184  1
  Hf  Hf2  2  0.0000  0.5000  0.5000  1
  Ta  Ta3  2  0.0000  0.5000  0.0000  1
  Ge  Ge4  4  0.0590  0.0000  0.7854  1
  Ge  Ge5  4  0.1308  0.5000  0.3192  1
]