data_HfHgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   144.47
_cell_angle_beta   139.59
_cell_angle_gamma   54.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHgMo
_chemical_formula_sum   'Hf1 Hg1 Mo1'
_cell_volume   57.85
_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  0.1  1.0
  Hg  Hg1  1  0.0  0.0  0.13  1.0
  Mo  Mo2  1  0.0  0.0  0.3  1.0

data_HfHgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.71
_cell_length_c   5.37
_cell_angle_alpha   110.21
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHgMo
_chemical_formula_sum   'Hf1 Hg1 Mo1'
_cell_volume   57.85
_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  0.9  0.9  0.9  1.0
  Hg  Hg1  1  0.87  0.87  0.87  1.0
  Mo  Mo2  1  0.7  0.7  0.7  1.0

Hf Hg Mo