data_HfAgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgMo2
_chemical_formula_sum   'Hf1 Ag1 Mo2'
_cell_volume   70.09
_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  Hf1  1  0.0  0.0  0.69  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.65  0.0  0.02  1.0
  Mo  Mo3  1  0.65  0.0  0.35  1.0

data_HfAgMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgMo2
_chemical_formula_sum   'Hf1 Ag1 Mo2'
_cell_volume   70.09
_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  0.69  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.65  0.0  0.02  1.0
  Mo  Mo3  1  0.65  0.0  0.35  1.0

Hf Ag Mo Mo
Hf Ag Mo Mo 0 0 + + o 0 0 o + o 0 0 + o o 0 3 - o o 0 2 - o + 0 1 o o + 1 2 - o o 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 