data_HfTaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   144.11
_cell_angle_beta   126.38
_cell_angle_gamma   66.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaMo2
_chemical_formula_sum   'Hf1 Ta1 Mo2'
_cell_volume   70.64
_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  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.47  1.0
  Mo  Mo1  1  0.0  0.41  0.18  1.0
  Mo  Mo2  1  0.64  0.0  0.29  1.0

data_HfTaMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.81
_cell_length_c   5.33
_cell_angle_alpha   116.81
_cell_angle_beta   107.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaMo2
_chemical_formula_sum   'Hf1 Ta1 Mo2'
_cell_volume   70.64
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.47  0.47  1.0
  Mo  Mo2  1  0.0  0.29  0.65  1.0
  Mo  Mo3  1  0.59  0.77  0.77  1.0

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