data_Hf2CuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CuGe
_chemical_formula_sum   'Hf2 Cu1 Ge1'
_cell_volume   70.47
_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  Hf2  1  0.51  0.06  0.5  1.0
  Hf  Hf3  1  0.51  0.94  0.5  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.02  0.0  0.0  1.0

data_Hf2CuGe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.92
_cell_length_b   3.0
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   104.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hf2CuGe
_chemical_formula_sum   'Hf2 Cu1 Ge1'
_cell_volume   70.47
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.51  0.5  0.06  1.0
  Hf  Hf1  1  0.51  0.5  0.94  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.02  0.0  0.0  1.0

Hf Hf Cu Ge