data_Hf2CrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.33
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   103.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrMo
_chemical_formula_sum   'Hf2 Cr1 Mo1'
_cell_volume   71.03
_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  0.81  0.17  0.25  1.0
  Hf  Hf2  1  0.84  0.0  0.45  1.0
  Cr  Cr0  1  0.91  0.0  0.92  1.0
  Mo  Mo3  1  0.74  0.17  0.8  1.0

data_Hf2CrMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.33
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   103.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CrMo
_chemical_formula_sum   'Hf2 Cr1 Mo1'
_cell_volume   71.03
_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  0.81  0.17  0.25  1.0
  Hf  Hf1  1  0.84  0.0  0.45  1.0
  Cr  Cr2  1  0.91  0.0  0.92  1.0
  Mo  Mo3  1  0.74  0.17  0.8  1.0

Hf Hf Cr Mo
Hf Hf Cr Mo 0 1 o o o 2 3 o o o 