data_Ag2BiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   4.51
_cell_angle_alpha   110.13
_cell_angle_beta   110.13
_cell_angle_gamma   32.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2BiRu
_chemical_formula_sum   'Ag2 Bi1 Ru1'
_cell_volume   76.59
_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
  Ag  Ag0  1  0.72  0.0  0.23  1.0
  Ag  Ag1  1  0.77  0.0  0.99  1.0
  Bi  Bi2  1  0.74  0.0  0.11  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Ag2BiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.51
_cell_length_c   5.79
_cell_angle_alpha   110.13
_cell_angle_beta   106.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2BiRu
_chemical_formula_sum   'Ag2 Bi1 Ru1'
_cell_volume   76.59
_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
  Ag  Ag0  1  0.0  0.23  0.72  1.0
  Ag  Ag1  1  0.0  0.99  0.77  1.0
  Bi  Bi2  1  0.0  0.11  0.74  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ag Ag Bi Ru
Ag Ag Bi Ru 0 2 o o o 1 2 o o + 1 3 + o + 