data_HfAgMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgMo2
_chemical_formula_sum   'Hf1 Ag1 Mo2'
_cell_volume   69.98
_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  0.38  0.38  0.97  1.0
  Ag  Ag0  1  0.0  0.0  0.54  1.0
  Mo  Mo2  1  0.0  0.0  0.05  1.0
  Mo  Mo3  1  0.38  0.38  0.29  1.0

data_HfAgMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAgMo2
_chemical_formula_sum   'Hf2 Ag2 Mo4'
_cell_volume   139.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.38  0.0  0.97  1.0
  Ag  Ag1  2  0.0  0.0  0.54  1.0
  Mo  Mo2  2  0.0  0.0  0.05  1.0
  Mo  Mo3  2  0.38  0.0  0.29  1.0

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