data_Ba2CoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   11.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoRu
_chemical_formula_sum   'Ba2 Co1 Ru1'
_cell_volume   123.39
_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  0.08  1.0
  Ba  Ba1  1  0.99  0.0  0.19  1.0
  Co  Co2  1  0.0  0.0  0.5  1.0
  Ru  Ru3  1  0.99  0.0  0.75  1.0

data_Ba2CoRu
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.98
_cell_length_b   5.62
_cell_length_c   11.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Ba2CoRu
_chemical_formula_sum   'Ba4 Co2 Ru2'
_cell_volume   246.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.81  1.0
  Ba  Ba1  2  0.0  0.0  0.92  1.0
  Co  Co2  2  0.0  0.0  0.5  1.0
  Ru  Ru3  2  0.0  0.0  0.25  1.0

Ba Ba Co Ru