data_Cd2CoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.77
_cell_angle_alpha   109.23
_cell_angle_beta   109.23
_cell_angle_gamma   32.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoRu
_chemical_formula_sum   'Cd2 Co1 Ru1'
_cell_volume   65.98
_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
  Cd  Cd0  1  0.07  0.0  0.09  1.0
  Cd  Cd1  1  0.15  0.0  0.26  1.0
  Co  Co2  1  0.05  0.0  0.19  1.0
  Ru  Ru3  1  0.39  0.0  0.19  1.0

data_Cd2CoRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.77
_cell_length_c   5.25
_cell_angle_alpha   109.23
_cell_angle_beta   106.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoRu
_chemical_formula_sum   'Cd2 Co1 Ru1'
_cell_volume   65.98
_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
  Cd  Cd0  1  0.0  0.09  0.07  1.0
  Cd  Cd1  1  0.0  0.26  0.15  1.0
  Co  Co2  1  0.0  0.19  0.05  1.0
  Ru  Ru3  1  0.0  0.19  0.39  1.0

Cd Cd Co Ru
Cd Cd Co Ru 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 