data_TaAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.52
_cell_angle_alpha   106.87
_cell_angle_beta   106.87
_cell_angle_gamma   34.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlO4
_chemical_formula_sum   'Ta2 Al2 O8'
_cell_volume   145.21
_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
  Ta  Ta0  1  0.46  0.0  0.76  1.0
  Ta  Ta1  1  0.83  0.0  0.45  1.0
  Al  Al2  1  0.45  0.0  0.11  1.0
  Al  Al3  1  0.84  0.0  0.09  1.0
  O  O4  1  0.82  0.0  0.95  1.0
  O  O5  1  0.47  0.0  0.26  1.0
  O  O6  1  0.3  0.0  0.84  1.0
  O  O7  1  0.99  0.0  0.36  1.0
  O  O8  1  0.69  0.0  0.26  1.0
  O  O9  1  0.6  0.0  0.94  1.0
  O  O10  1  0.93  0.0  0.88  1.0
  O  O11  1  0.36  0.0  0.33  1.0

data_TaAlO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.81
_cell_length_b   6.42
_cell_length_c   6.52
_cell_angle_alpha   106.87
_cell_angle_beta   90.0
_cell_angle_gamma   107.26
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaAlO4
_chemical_formula_sum   'Ta2 Al2 O8'
_cell_volume   145.21
_cell_formula_units_Z   2
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
  Ta  Ta0  2  0.0  0.19  0.84  1.0
  Al  Al1  2  0.0  0.19  0.49  1.0
  O  O2  2  0.0  0.05  0.66  1.0
  O  O3  2  0.0  0.17  0.34  1.0
  O  O4  2  0.0  0.29  0.28  1.0
  O  O5  2  0.0  0.35  0.76  1.0

Ta Ta Al Al O O O O O O O O
Ta Ta Al Al O O O O O O O O 0 6 o o o 0 9 o o o 1 8 o o o 1 7 o o o 2 5 o o o 2 8 o o o 3 4 o o - 3 9 o o - 4 10 o o o 4 9 o o o 5 11 o o o 5 8 o o o 