data_HfAgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   143.69
_cell_angle_beta   143.69
_cell_angle_gamma   52.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgRu
_chemical_formula_sum   'Hf1 Ag1 Ru1'
_cell_volume   53.14
_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  0.04  1.0
  Ag  Ag0  1  0.0  0.0  0.02  1.0
  Ru  Ru2  1  0.0  0.0  0.53  1.0

data_HfAgRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   116.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAgRu
_chemical_formula_sum   'Hf2 Ag2 Ru2'
_cell_volume   106.27
_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  0.96  1.0
  Ag  Ag1  2  0.0  0.0  0.98  1.0
  Ru  Ru2  2  0.0  0.0  0.47  1.0

Hf Ag Ru
Hf Ag Ru 0 1 o o o 0 2 o o o 0 2 o o - 1 2 o o o 1 2 o o - 