data_Cr3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Ru
_chemical_formula_sum   'Cr12 Ru4'
_cell_volume   198.24
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.7  0.25  0.0  1.0
  Cr  Cr1  1  0.7  0.25  0.24  1.0
  Cr  Cr2  1  0.0  0.54  0.36  1.0
  Cr  Cr3  1  0.73  0.73  0.36  1.0
  Cr  Cr4  1  0.33  0.77  0.12  1.0
  Cr  Cr5  1  0.6  0.0  0.0  1.0
  Cr  Cr6  1  0.6  0.0  0.24  1.0
  Cr  Cr7  1  0.3  0.25  0.0  1.0
  Cr  Cr8  1  0.3  0.25  0.24  1.0
  Cr  Cr9  1  0.27  0.73  0.36  1.0
  Cr  Cr10  1  0.87  0.77  0.12  1.0
  Cr  Cr11  1  0.6  0.96  0.12  1.0
  Ru  Ru12  1  0.0  0.0  0.0  1.0
  Ru  Ru13  1  0.0  0.0  0.24  1.0
  Ru  Ru14  1  0.0  0.0  0.12  1.0
  Ru  Ru15  1  0.6  0.5  0.36  1.0

data_Cr3Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Ru
_chemical_formula_sum   'Cr12 Ru4'
_cell_volume   198.24
_cell_formula_units_Z   4
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
  Cr  Cr0  1  -0.0  0.54  0.36  1.0
  Cr  Cr1  1  0.27  0.73  0.36  1.0
  Cr  Cr2  1  0.3  0.25  0.0  1.0
  Cr  Cr3  1  0.3  0.25  0.24  1.0
  Cr  Cr4  1  0.33  0.77  0.12  1.0
  Cr  Cr5  1  0.6  0.0  0.0  1.0
  Cr  Cr6  1  0.6  0.0  0.24  1.0
  Cr  Cr7  1  0.6  0.96  0.12  1.0
  Cr  Cr8  1  0.7  0.25  0.0  1.0
  Cr  Cr9  1  0.7  0.25  0.24  1.0
  Cr  Cr10  1  0.73  0.73  0.36  1.0
  Cr  Cr11  1  0.87  0.77  0.12  1.0
  Ru  Ru12  1  -0.0  0.0  0.12  1.0
  Ru  Ru13  1  0.0  0.0  0.0  1.0
  Ru  Ru14  1  0.0  0.0  0.24  1.0
  Ru  Ru15  1  0.6  0.5  0.36  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Ru Ru Ru Ru