data_HfNiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.7
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   98.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiMo2
_chemical_formula_sum   'Hf1 Ni1 Mo2'
_cell_volume   64.24
_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  0.03  0.0  0.42  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.03  0.35  0.62  1.0
  Mo  Mo2  1  0.03  0.35  0.23  1.0

data_HfNiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.7
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   98.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNiMo2
_chemical_formula_sum   'Hf1 Ni1 Mo2'
_cell_volume   64.24
_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  0.03  0.0  0.42  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.03  0.35  0.23  1.0
  Mo  Mo3  1  0.03  0.35  0.62  1.0

Hf Ni Mo Mo
Hf Ni Mo Mo 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 