data_SrZrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   152.34
_cell_angle_beta   152.34
_cell_angle_gamma   39.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrRu
_chemical_formula_sum   'Sr1 Zr1 Ru1'
_cell_volume   77.1
_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  Sr1  1  0.0  0.0  0.78  1.0
  Zr  Zr2  1  0.0  0.0  0.26  1.0
  Ru  Ru0  1  0.0  0.0  0.33  1.0

data_SrZrRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   109.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrZrRu
_chemical_formula_sum   'Sr2 Zr2 Ru2'
_cell_volume   154.19
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.22  1.0
  Zr  Zr1  2  0.0  0.0  0.74  1.0
  Ru  Ru2  2  0.0  0.0  0.67  1.0

Sr Zr Ru