data_SrZrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.43
_cell_angle_alpha   105.3
_cell_angle_beta   105.3
_cell_angle_gamma   35.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrRu2
_chemical_formula_sum   'Sr1 Zr1 Ru2'
_cell_volume   88.51
_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
  Sr  Sr2  1  0.46  0.0  0.67  1.0
  Zr  Zr3  1  0.08  0.0  0.78  1.0
  Ru  Ru0  1  0.78  0.0  0.14  1.0
  Ru  Ru1  1  0.68  0.0  0.46  1.0

data_SrZrRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.41
_cell_length_c   5.43
_cell_angle_alpha   105.3
_cell_angle_beta   90.0
_cell_angle_gamma   107.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrRu2
_chemical_formula_sum   'Sr1 Zr1 Ru2'
_cell_volume   88.51
_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
  Sr  Sr0  1  0.0  0.54  0.33  1.0
  Zr  Zr1  1  0.0  0.92  0.22  1.0
  Ru  Ru2  1  0.0  0.22  0.86  1.0
  Ru  Ru3  1  0.0  0.32  0.54  1.0

Sr Zr Ru Ru