data_ZrAg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   130.85
_cell_angle_beta   128.64
_cell_angle_gamma   73.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg2Ru
_chemical_formula_sum   'Zr1 Ag2 Ru1'
_cell_volume   70.29
_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
  Zr  Zr3  1  0.0  0.0  0.93  1.0
  Ag  Ag0  1  0.06  0.0  0.95  1.0
  Ag  Ag1  1  0.0  0.0  0.96  1.0
  Ru  Ru2  1  0.06  0.0  0.06  1.0

data_ZrAg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.3
_cell_length_c   4.96
_cell_angle_alpha   115.68
_cell_angle_beta   114.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg2Ru
_chemical_formula_sum   'Zr1 Ag2 Ru1'
_cell_volume   70.29
_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
  Zr  Zr0  1  0.0  0.93  0.93  1.0
  Ag  Ag1  1  0.0  0.95  0.89  1.0
  Ag  Ag2  1  0.0  0.96  0.96  1.0
  Ru  Ru3  1  0.0  0.06  0.99  1.0

Zr Ag Ag Ru