data_HfCo2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37
_cell_length_b   8.37
_cell_length_c   8.37
_cell_angle_alpha   20.49
_cell_angle_beta   20.49
_cell_angle_gamma   20.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2Ag
_chemical_formula_sum   'Hf1 Co2 Ag1'
_cell_volume   62.96
_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  Hf3  1  0.0  0.0  0.29  1.0
  Co  Co1  1  0.0  0.0  0.54  1.0
  Co  Co2  1  0.0  0.0  0.04  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0

data_HfCo2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   2.98
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   101.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCo2Ag
_chemical_formula_sum   'Hf2 Co4 Ag2'
_cell_volume   125.92
_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  0.71  1.0
  Co  Co1  2  0.0  0.0  0.46  1.0
  Co  Co2  2  0.0  0.0  0.96  1.0
  Ag  Ag3  2  0.0  0.0  0.0  1.0

Hf Co Co Ag
Hf Co Co Ag 0 3 o o o 0 2 o o o 0 1 o o o 2 3 o o o 