data_Zr2AgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.57
_cell_angle_alpha   100.48
_cell_angle_beta   100.48
_cell_angle_gamma   58.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AgRu
_chemical_formula_sum   'Zr2 Ag1 Ru1'
_cell_volume   80.83
_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  Zr2  1  0.12  0.0  0.5  1.0
  Zr  Zr3  1  0.96  0.0  0.88  1.0
  Ag  Ag0  1  0.04  0.0  0.19  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_Zr2AgRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.36
_cell_length_c   8.57
_cell_angle_alpha   100.48
_cell_angle_beta   90.0
_cell_angle_gamma   119.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AgRu
_chemical_formula_sum   'Zr2 Ag1 Ru1'
_cell_volume   80.83
_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  0.04  0.12  1.0
  Zr  Zr1  1  0.0  0.88  0.5  1.0
  Ag  Ag2  1  0.0  0.96  0.81  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Zr Zr Ag Ru