data_BaCoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   6.17
_cell_angle_alpha   106.05
_cell_angle_beta   106.05
_cell_angle_gamma   58.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoRu2
_chemical_formula_sum   'Ba1 Co1 Ru2'
_cell_volume   90.82
_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  0.73  0.0  0.92  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.96  0.0  0.32  1.0
  Ru  Ru3  1  0.5  0.0  0.53  1.0

data_BaCoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.26
_cell_length_c   6.17
_cell_angle_alpha   106.05
_cell_angle_beta   90.0
_cell_angle_gamma   119.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoRu2
_chemical_formula_sum   'Ba1 Co1 Ru2'
_cell_volume   90.82
_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  0.27  0.08  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.04  0.68  1.0
  Ru  Ru3  1  0.0  0.5  0.47  1.0

Ba Co Ru Ru