data_Ta2CoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoRu
_chemical_formula_sum   'Ta2 Co1 Ru1'
_cell_volume   60.98
_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
  Ta  Ta2  1  0.0  0.0  0.13  1.0
  Ta  Ta3  1  0.78  0.0  0.85  1.0
  Co  Co0  1  0.0  0.0  0.89  1.0
  Ru  Ru1  1  0.78  0.0  0.25  1.0

data_Ta2CoRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoRu
_chemical_formula_sum   'Ta2 Co1 Ru1'
_cell_volume   60.98
_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
  Ta  Ta0  1  0.0  0.0  0.13  1.0
  Ta  Ta1  1  0.78  0.0  0.85  1.0
  Co  Co2  1  0.0  0.0  0.89  1.0
  Ru  Ru3  1  0.78  0.0  0.25  1.0

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