data_BaTiCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiCo2
_chemical_formula_sum   'Ba1 Ti1 Co2'
_cell_volume   73.9
_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  0.36  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.68  0.26  0.58  1.0
  Co  Co2  1  0.68  0.74  0.58  1.0

data_BaTiCo2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.16
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaTiCo2
_chemical_formula_sum   'Ba1 Ti1 Co2'
_cell_volume   73.96
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.36  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Co  Co2  2  0.58  0.26  0.68  1.0

Ba Ti Co Co
Ba Ti Co Co 0 1 o o o 0 2 o o o 0 2 o o - 0 3 o - o 0 3 o - - 1 2 - o o 1 2 - o - 1 3 - - o 1 3 - - - 2 3 o o o 2 3 o - o 
BaTiCo2 crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a 5-coordinate geometry to one Ti(1) and four equivalent Co(1) atoms. The Ba(1)-Ti(1) bond length is 1.73 Å. There are two shorter (2.39 Å) and two longer (2.70 Å) Ba(1)-Co(1) bond lengths. Ti(1) is bonded in a 1-coordinate geometry to one Ba(1) and four equivalent Co(1) atoms. There are two shorter (2.39 Å) and two longer (2.70 Å) Ti(1)-Co(1) bond lengths. Co(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ti(1), and two equivalent Co(1) atoms. There is one shorter (2.35 Å) and one longer (2.49 Å) Co(1)-Co(1) bond length.