data_Co4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   99.46
_cell_angle_beta   99.46
_cell_angle_gamma   132.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4Ru
_chemical_formula_sum   'Co4 Ru1'
_cell_volume   57.1
_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
  Co  Co0  1  0.27  0.12  0.0  1.0
  Co  Co1  1  0.57  0.72  0.78  1.0
  Co  Co2  1  0.72  0.43  0.78  1.0
  Co  Co3  1  0.12  0.4  0.0  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0

data_Co4Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   80.54
_cell_angle_beta   66.08
_cell_angle_gamma   66.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co4Ru
_chemical_formula_sum   'Co4 Ru1'
_cell_volume   57.1
_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
  Co  Co0  1  0.12  0.0  0.15  1.0
  Co  Co1  1  0.4  0.0  0.72  1.0
  Co  Co2  1  0.66  0.78  0.28  1.0
  Co  Co3  1  0.94  0.78  0.85  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0

Co Co Co Co Ru
Co Co Co Co Ru 0 4 o o o 0 2 o o - 0 2 - - - 0 3 o o o 1 4 + + + 1 2 o o o 2 4 + + + 2 3 + o + 3 4 o o o 