data_CrMo2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   132.11
_cell_angle_beta   132.11
_cell_angle_gamma   70.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMo2Ru
_chemical_formula_sum   'Cr1 Mo2 Ru1'
_cell_volume   57.9
_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  0.0  1.0
  Mo  Mo1  1  0.93  0.0  0.95  1.0
  Mo  Mo2  1  0.0  0.0  0.89  1.0
  Ru  Ru3  1  0.0  0.93  0.95  1.0

data_CrMo2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   4.75
_cell_angle_alpha   113.94
_cell_angle_beta   113.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMo2Ru
_chemical_formula_sum   'Cr1 Mo2 Ru1'
_cell_volume   57.9
_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  0.0  1.0
  Mo  Mo1  1  0.89  0.89  0.89  1.0
  Mo  Mo2  1  0.95  0.02  0.02  1.0
  Ru  Ru3  1  0.02  0.95  0.02  1.0

Cr Mo Mo Ru