data_Ba2CoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   137.6
_cell_angle_beta   137.6
_cell_angle_gamma   61.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoRu
_chemical_formula_sum   'Ba2 Co1 Ru1'
_cell_volume   105.81
_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
  Ba  Ba0  1  0.0  0.0  0.31  1.0
  Ba  Ba1  1  0.0  0.23  0.65  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.23  0.0  0.65  1.0

data_Ba2CoRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.17
_cell_angle_alpha   111.2
_cell_angle_beta   111.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoRu
_chemical_formula_sum   'Ba2 Co1 Ru1'
_cell_volume   105.81
_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
  Ba  Ba0  1  0.31  0.31  0.31  1.0
  Ba  Ba1  1  0.42  0.65  0.42  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.65  0.42  0.42  1.0

Ba Ba Co Ru