data_HfZn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.84
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Mo
_chemical_formula_sum   'Hf1 Zn2 Mo1'
_cell_volume   68.0
_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  0.52  0.92  0.97  1.0
  Zn  Zn2  1  0.52  0.92  0.01  1.0
  Zn  Zn3  1  0.0  0.0  0.36  1.0
  Mo  Mo1  1  0.0  0.0  0.41  1.0

data_HfZn2Mo
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.84
_cell_length_b   3.03
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfZn2Mo
_chemical_formula_sum   'Hf1 Zn2 Mo1'
_cell_volume   68.0
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.92  0.0  0.97  1.0
  Zn  Zn1  1  0.0  0.5  0.36  1.0
  Zn  Zn2  1  0.92  0.0  0.01  1.0
  Mo  Mo3  1  0.0  0.5  0.41  1.0

Hf Zn Zn Mo