data_HfCrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.67
_cell_length_c   2.86
_cell_angle_alpha   82.38
_cell_angle_beta   73.34
_cell_angle_gamma   24.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrMo
_chemical_formula_sum   'Hf1 Cr1 Mo1'
_cell_volume   48.97
_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  0.59  0.38  0.56  1.0
  Cr  Cr0  1  0.59  0.38  0.83  1.0
  Mo  Mo2  1  0.59  0.38  0.5  1.0

data_HfCrMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.18
_cell_length_b   12.95
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   123.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCrMo
_chemical_formula_sum   'Hf2 Cr2 Mo2'
_cell_volume   97.94
_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  0.47  0.0  0.85  1.0
  Cr  Cr1  2  0.2  0.0  0.58  1.0
  Mo  Mo2  2  0.03  0.5  0.91  1.0

Hf Cr Mo