data_Ba8Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48
_cell_length_b   9.48
_cell_length_c   9.48
_cell_angle_alpha   95.75
_cell_angle_beta   95.75
_cell_angle_gamma   143.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba8Ti
_chemical_formula_sum   'Ba8 Ti1'
_cell_volume   485.47
_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  0.04  0.96  0.0  1.0
  Ba  Ba1  1  0.96  0.04  0.0  1.0
  Ba  Ba2  1  0.15  0.0  0.0  1.0
  Ba  Ba3  1  0.04  0.04  0.0  1.0
  Ba  Ba4  1  0.0  0.15  0.0  1.0
  Ba  Ba5  1  0.32  0.32  0.0  1.0
  Ba  Ba6  1  0.57  0.0  0.0  1.0
  Ba  Ba7  1  0.0  0.57  0.0  1.0
  Ti  Ti8  1  0.0  0.0  0.0  1.0

data_Ba8Ti
_symmetry_space_group_name_H-M   Fmm2
_cell_length_a   17.99
_cell_length_b   17.99
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   42
_chemical_formula_structural   Ba8Ti
_chemical_formula_sum   'Ba32 Ti4'
_cell_volume   1941.9
_cell_formula_units_Z   4
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, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
  9  'x+1/2, y, z+1/2'
  10  '-x+1/2, -y, z+1/2'
  11  '-x+1/2, y, z+1/2'
  12  'x+1/2, -y, z+1/2'
  13  'x+1/2, y+1/2, z'
  14  '-x+1/2, -y+1/2, z'
  15  '-x+1/2, y+1/2, z'
  16  '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  8  0.0  0.04  1.0  1.0
  Ba  Ba1  8  0.0  0.08  0.08  1.0
  Ba  Ba2  8  0.0  0.22  0.78  1.0
  Ba  Ba3  4  0.0  0.0  0.04  1.0
  Ba  Ba4  4  0.0  0.0  0.32  1.0
  Ti  Ti5  4  0.0  0.0  0.0  1.0

Ba Ba Ba Ba Ba Ba Ba Ba Ti