data_CrFeRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   31.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeRu2
_chemical_formula_sum   'Cr1 Fe1 Ru2'
_cell_volume   50.27
_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
  Cr  Cr0  1  0.0  0.0  0.79  1.0
  Fe  Fe1  1  0.99  0.0  0.92  1.0
  Ru  Ru2  1  0.0  0.0  0.73  1.0
  Ru  Ru3  1  0.99  0.0  0.46  1.0

data_CrFeRu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.65
_cell_length_b   3.99
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   105.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CrFeRu2
_chemical_formula_sum   'Cr1 Fe1 Ru2'
_cell_volume   50.27
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.21  0.0  0.21  1.0
  Fe  Fe1  1  0.08  0.0  0.08  1.0
  Ru  Ru2  1  0.27  0.0  0.27  1.0
  Ru  Ru3  1  0.54  0.0  0.54  1.0

Cr Fe Ru Ru