data_[Hf1Cu6Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3615]
_cell_length_b [5.4168]
_cell_length_c [4.6491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [HfCu6Ge]
_chemical_formula_sum '[Hf1 Cu6 Ge1]'
_cell_volume [109.8369]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.6612  1
  Cu  Cu1  2  0.0000  0.2627  0.1596  1
  Cu  Cu2  2  0.5000  0.2584  0.8433  1
  Cu  Cu3  1  0.0000  0.5000  0.6732  1
  Cu  Cu4  1  0.5000  0.0000  0.2997  1
  Ge  Ge5  1  0.5000  0.5000  0.3600  1
]