data_Hf2MgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.67
_cell_angle_alpha   95.32
_cell_angle_beta   95.32
_cell_angle_gamma   34.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgMo
_chemical_formula_sum   'Hf2 Mg1 Mo1'
_cell_volume   80.59
_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  0.11  0.0  0.51  1.0
  Hf  Hf1  1  0.98  0.0  0.14  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.54  0.0  0.82  1.0

data_Hf2MgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.04
_cell_length_c   5.67
_cell_angle_alpha   95.32
_cell_angle_beta   90.0
_cell_angle_gamma   107.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2MgMo
_chemical_formula_sum   'Hf2 Mg1 Mo1'
_cell_volume   80.59
_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  0.02  0.86  1.0
  Hf  Hf1  1  0.0  0.89  0.49  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.46  0.18  1.0

Hf Hf Mg Mo