data_Ti2GaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GaO4
_chemical_formula_sum   'Ti4 Ga2 O8'
_cell_volume   151.88
_cell_formula_units_Z   2
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
  Ti  Ti10  1  0.18  0.18  0.29  1.0
  Ti  Ti11  1  0.18  0.29  0.18  1.0
  Ti  Ti12  1  0.29  0.18  0.18  1.0
  Ti  Ti13  1  0.29  0.29  0.29  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.12  0.12  0.12  1.0
  O  O2  1  0.19  0.19  0.19  1.0
  O  O3  1  0.19  0.28  0.28  1.0
  O  O4  1  0.28  0.19  0.28  1.0
  O  O5  1  0.31  0.31  0.39  1.0
  O  O6  1  0.28  0.28  0.19  1.0
  O  O7  1  0.31  0.39  0.31  1.0
  O  O8  1  0.39  0.39  0.39  1.0
  O  O9  1  0.39  0.31  0.31  1.0

data_Ti2GaO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   14.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ti2GaO4
_chemical_formula_sum   'Ti12 Ga6 O24'
_cell_volume   455.63
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ti  Ti0  9  0.04  0.08  0.78  1.0
  Ti  Ti1  3  0.0  0.0  0.71  1.0
  Ga  Ga2  3  0.0  0.0  0.0  1.0
  Ga  Ga3  3  0.0  0.0  0.88  1.0
  O  O4  9  0.03  0.06  0.66  1.0
  O  O5  9  0.06  0.03  0.75  1.0
  O  O6  3  0.0  0.0  0.61  1.0
  O  O7  3  0.0  0.0  0.81  1.0

Ti Ti Ti Ti Ga Ga O O O O O O O O
Ti Ti Ti Ti Ga Ga O O O O O O O O 0 6 o o o 0 8 o o o 0 7 o o o 1 6 o o o 1 10 o o o 1 7 o o o 2 6 o o o 2 8 o o o 2 10 o o o 3 10 o o o 3 8 o o o 3 7 o o o 3 13 o o o 3 11 o o o 3 9 o o o 4 5 o o o 5 6 o o o 7 8 o o o 7 10 o o o 8 10 o o o 9 13 o o o 9 11 o o o 9 12 o o o 11 13 o o o 11 12 o o o 12 13 o o o 