data_NiAgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   4.4
_cell_angle_alpha   110.41
_cell_angle_beta   110.41
_cell_angle_gamma   29.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAgRu2
_chemical_formula_sum   'Ni1 Ag1 Ru2'
_cell_volume   57.64
_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
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.37  0.0  0.05  1.0
  Ru  Ru2  1  0.67  0.0  0.21  1.0
  Ru  Ru3  1  0.06  0.0  0.89  1.0

data_NiAgRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.4
_cell_length_c   5.34
_cell_angle_alpha   110.41
_cell_angle_beta   104.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAgRu2
_chemical_formula_sum   'Ni1 Ag1 Ru2'
_cell_volume   57.64
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.05  0.37  1.0
  Ru  Ru2  1  0.0  0.21  0.67  1.0
  Ru  Ru3  1  0.0  0.89  0.06  1.0

Ni Ag Ru Ru
Ni Ag Ru Ru 0 3 o o - 1 3 o o - 1 2 o o o 