data_Hf2GeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.74
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   104.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GeAs
_chemical_formula_sum   'Hf2 Ge1 As1'
_cell_volume   76.01
_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  0.01  0.87  0.56  1.0
  Hf  Hf3  1  0.67  0.87  0.67  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.84  0.0  0.12  1.0

data_Hf2GeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.74
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   104.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GeAs
_chemical_formula_sum   'Hf2 Ge1 As1'
_cell_volume   76.01
_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  0.01  0.87  0.56  1.0
  Hf  Hf1  1  0.67  0.87  0.67  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.84  0.0  0.12  1.0

Hf Hf Ge As