data_Co2AsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.45
_cell_angle_alpha   100.3
_cell_angle_beta   100.3
_cell_angle_gamma   37.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AsRu
_chemical_formula_sum   'Co2 As1 Ru1'
_cell_volume   50.34
_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  Co1  1  0.02  0.0  0.06  1.0
  Co  Co2  1  0.97  0.0  0.98  1.0
  As  As0  1  0.43  0.0  0.36  1.0
  Ru  Ru3  1  0.67  0.0  0.15  1.0

data_Co2AsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.35
_cell_length_c   4.45
_cell_angle_alpha   100.3
_cell_angle_beta   90.0
_cell_angle_gamma   108.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2AsRu
_chemical_formula_sum   'Co2 As1 Ru1'
_cell_volume   50.34
_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  0.03  0.02  1.0
  Co  Co1  1  0.0  0.98  0.94  1.0
  As  As2  1  0.0  0.57  0.64  1.0
  Ru  Ru3  1  0.0  0.33  0.85  1.0

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