data_[Hf6Ga8Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.3428]
_cell_length_b [5.6216]
_cell_length_c [5.5868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Hf3Ga4Ge]
_chemical_formula_sum '[Hf6 Ga8 Ge2]'
_cell_volume [293.4291]
_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  0.2375  0.8642  0.0928  1
  Hf  Hf1  2  0.0000  0.6051  0.7565  1
  Ga  Ga2  4  0.2248  0.3668  0.0560  1
  Ga  Ga3  2  0.0000  0.0586  0.3552  1
  Ga  Ga4  2  0.0000  0.5598  0.2692  1
  Ge  Ge5  2  0.0000  0.0941  0.8366  1
]