data_HfIn2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   9.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Ag
_chemical_formula_sum   'Hf1 In2 Ag1'
_cell_volume   87.72
_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  0.93  1.0
  In  In2  1  0.63  0.0  0.5  1.0
  In  In3  1  0.63  0.0  0.37  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_HfIn2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.18
_cell_length_b   5.6
_cell_length_c   9.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfIn2Ag
_chemical_formula_sum   'Hf2 In4 Ag2'
_cell_volume   175.53
_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  0.0  0.0  0.93  1.0
  In  In1  2  0.13  0.5  0.37  1.0
  In  In2  2  0.13  0.5  0.5  1.0
  Ag  Ag3  2  0.0  0.0  0.0  1.0

Hf In In Ag
Hf In In Ag 0 3 o o + 1 2 o o o 