data_Hf2GaMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.24
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   99.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GaMo
_chemical_formula_sum   'Hf2 Ga1 Mo1'
_cell_volume   75.28
_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  Hf1  1  0.58  0.12  0.52  1.0
  Hf  Hf2  1  0.47  0.12  0.4  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.52  0.0  0.96  1.0

data_Hf2GaMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.24
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   99.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GaMo
_chemical_formula_sum   'Hf2 Ga1 Mo1'
_cell_volume   75.28
_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  0.47  0.12  0.4  1.0
  Hf  Hf1  1  0.58  0.12  0.52  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.52  0.0  0.96  1.0

Hf Hf Ga Mo
Hf Hf Ga Mo 0 1 o o o 2 3 - o - 2 3 o o - 