data_SrCr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.64
_cell_angle_alpha   102.13
_cell_angle_beta   102.13
_cell_angle_gamma   37.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCr2Ru
_chemical_formula_sum   'Sr1 Cr2 Ru1'
_cell_volume   78.78
_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  Sr3  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.74  0.0  0.15  1.0
  Cr  Cr1  1  0.18  0.0  0.34  1.0
  Ru  Ru2  1  0.96  0.0  0.75  1.0

data_SrCr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.85
_cell_length_c   5.64
_cell_angle_alpha   102.13
_cell_angle_beta   90.0
_cell_angle_gamma   108.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCr2Ru
_chemical_formula_sum   'Sr1 Cr2 Ru1'
_cell_volume   78.78
_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  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.26  0.85  1.0
  Cr  Cr2  1  0.0  0.82  0.66  1.0
  Ru  Ru3  1  0.0  0.04  0.25  1.0

Sr Cr Cr Ru
Sr Cr Cr Ru 0 3 - o - 0 1 - o o 0 2 o o o 1 2 + o o 