data_BaTi2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   7.14
_cell_angle_alpha   108.03
_cell_angle_beta   108.03
_cell_angle_gamma   46.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTi2Co
_chemical_formula_sum   'Ba1 Ti2 Co1'
_cell_volume   96.45
_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  0.47  0.0  0.22  1.0
  Ti  Ti2  1  0.12  0.0  0.6  1.0
  Ti  Ti3  1  0.18  0.0  0.84  1.0
  Co  Co1  1  0.88  0.0  0.43  1.0

data_BaTi2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.45
_cell_length_c   7.14
_cell_angle_alpha   108.03
_cell_angle_beta   90.0
_cell_angle_gamma   113.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTi2Co
_chemical_formula_sum   'Ba1 Ti2 Co1'
_cell_volume   96.45
_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  0.53  0.78  1.0
  Ti  Ti1  1  0.0  0.82  0.16  1.0
  Ti  Ti2  1  0.0  0.88  0.4  1.0
  Co  Co3  1  0.0  0.12  0.57  1.0

Ba Ti Ti Co
Ba Ti Ti Co 0 3 o o o 1 3 - o o 1 2 o o o 