data_LiTa3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   5.11
_cell_angle_alpha   90.67
_cell_angle_beta   90.67
_cell_angle_gamma   101.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa3O8
_chemical_formula_sum   'Li2 Ta6 O16'
_cell_volume   285.3
_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
  Li  Li0  1  0.74  0.04  0.28  1.0
  Li  Li1  1  0.7  0.96  0.83  1.0
  Ta  Ta2  1  0.74  0.01  0.28  1.0
  Ta  Ta3  1  0.7  0.99  0.83  1.0
  Ta  Ta4  1  0.2  0.01  0.3  1.0
  Ta  Ta5  1  0.28  0.01  0.25  1.0
  Ta  Ta6  1  0.23  0.99  0.8  1.0
  Ta  Ta7  1  0.16  0.99  0.86  1.0
  O  O8  1  0.61  0.44  1.0  1.0
  O  O9  1  0.87  0.44  0.55  1.0
  O  O10  1  0.82  0.56  0.11  1.0
  O  O11  1  0.57  0.56  0.55  1.0
  O  O12  1  0.35  0.57  0.87  1.0
  O  O13  1  0.04  0.57  0.79  1.0
  O  O14  1  0.09  0.43  0.24  1.0
  O  O15  1  0.4  0.43  0.31  1.0
  O  O16  1  0.82  0.93  0.94  1.0
  O  O17  1  0.57  0.93  0.72  1.0
  O  O18  1  0.62  0.07  0.17  1.0
  O  O19  1  0.87  0.07  0.38  1.0
  O  O20  1  0.42  0.76  0.68  1.0
  O  O21  1  0.97  0.76  0.98  1.0
  O  O22  1  0.02  0.24  0.42  1.0
  O  O23  1  0.46  0.24  0.13  1.0

data_LiTa3O8
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.11
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   101.78
_cell_angle_beta   90.67
_cell_angle_gamma   90.67
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LiTa3O8
_chemical_formula_sum   'Li2 Ta6 O16'
_cell_volume   285.3
_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
  Li  Li0  2  0.22  0.52  0.04  1.0
  Ta  Ta1  2  0.2  0.06  0.01  1.0
  Ta  Ta2  2  0.22  0.52  0.01  1.0
  Ta  Ta3  2  0.25  0.99  0.01  1.0
  O  O4  2  0.05  0.61  0.56  1.0
  O  O5  2  0.08  0.24  0.24  1.0
  O  O6  2  0.12  0.4  0.07  1.0
  O  O7  2  0.19  0.87  0.43  1.0
  O  O8  2  0.26  0.18  0.43  1.0
  O  O9  2  0.33  0.65  0.07  1.0
  O  O10  2  0.37  0.8  0.24  1.0
  O  O11  2  0.5  0.35  0.56  1.0

Li Li Ta Ta Ta Ta Ta Ta O O O O O O O O O O O O O O O O