data_Cr2SbRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   3.75
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SbRu
_chemical_formula_sum   'Cr2 Sb1 Ru1'
_cell_volume   61.33
_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  0.49  0.87  0.23  1.0
  Cr  Cr1  1  0.49  0.87  0.27  1.0
  Sb  Sb3  1  0.0  0.0  0.75  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Cr2SbRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.75
_cell_length_b   2.97
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Cr2SbRu
_chemical_formula_sum   'Cr2 Sb1 Ru1'
_cell_volume   61.33
_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  0.87  0.5  0.23  1.0
  Cr  Cr1  1  0.87  0.5  0.27  1.0
  Sb  Sb2  1  0.0  0.0  0.75  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Cr Cr Sb Ru
Cr Cr Sb Ru 0 1 o o o 2 3 o o + 