data_CoRu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   131.88
_cell_angle_beta   131.88
_cell_angle_gamma   70.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRu2Pt
_chemical_formula_sum   'Co1 Ru2 Pt1'
_cell_volume   54.6
_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  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.8  1.0
  Ru  Ru3  1  0.0  0.9  0.9  1.0
  Pt  Pt1  1  0.9  0.0  0.9  1.0

data_CoRu2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   4.65
_cell_angle_alpha   114.06
_cell_angle_beta   114.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRu2Pt
_chemical_formula_sum   'Co1 Ru2 Pt1'
_cell_volume   54.6
_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  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.9  0.0  1.0
  Ru  Ru2  1  0.8  0.8  0.8  1.0
  Pt  Pt3  1  0.9  0.0  0.0  1.0

Co Ru Ru Pt
Co Ru Ru Pt 0 3 - o - 0 2 o - - 0 1 o o - 1 3 - o o 1 2 o - o 