data_HfCrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   146.39
_cell_angle_beta   146.39
_cell_angle_gamma   48.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrMo
_chemical_formula_sum   'Hf1 Cr1 Mo1'
_cell_volume   48.44
_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  0.0  0.0  0.33  1.0
  Cr  Cr0  1  0.0  0.0  0.14  1.0
  Mo  Mo2  1  0.0  0.0  0.42  1.0

data_HfCrMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   114.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCrMo
_chemical_formula_sum   'Hf2 Cr2 Mo2'
_cell_volume   96.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.33  0.0  0.33  1.0
  Cr  Cr1  2  0.14  0.0  0.14  1.0
  Mo  Mo2  2  0.42  0.0  0.42  1.0

Hf Cr Mo