data_BaTi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   7.24
_cell_angle_alpha   104.06
_cell_angle_beta   104.06
_cell_angle_gamma   28.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTi5
_chemical_formula_sum   'Ba1 Ti5'
_cell_volume   123.78
_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  0.2  0.0  1.0  1.0
  Ti  Ti1  1  0.3  0.0  0.52  1.0
  Ti  Ti2  1  0.47  0.0  0.48  1.0
  Ti  Ti3  1  0.9  0.0  0.18  1.0
  Ti  Ti4  1  0.64  0.0  0.18  1.0
  Ti  Ti5  1  0.99  0.0  0.5  1.0

data_BaTi5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   6.07
_cell_length_c   7.24
_cell_angle_alpha   104.06
_cell_angle_beta   90.0
_cell_angle_gamma   104.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTi5
_chemical_formula_sum   'Ba1 Ti5'
_cell_volume   123.78
_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  0.8  0.0  1.0
  Ti  Ti1  1  0.0  0.01  0.5  1.0
  Ti  Ti2  1  0.0  0.1  0.82  1.0
  Ti  Ti3  1  0.0  0.36  0.82  1.0
  Ti  Ti4  1  0.0  0.53  0.52  1.0
  Ti  Ti5  1  0.0  0.7  0.48  1.0

Ba Ti Ti Ti Ti Ti