data_YTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.54
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   96.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaO4
_chemical_formula_sum   'Y2 Ta2 O8'
_cell_volume   152.1
_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
  Y  Y0  1  0.85  0.29  0.33  1.0
  Y  Y1  1  0.54  0.26  0.99  1.0
  Ta  Ta2  1  0.43  0.84  0.33  1.0
  Ta  Ta3  1  0.12  0.71  0.99  1.0
  O  O4  1  0.63  0.06  0.12  1.0
  O  O5  1  0.23  0.06  0.54  1.0
  O  O6  1  0.93  0.49  0.2  1.0
  O  O7  1  0.32  0.49  0.78  1.0
  O  O8  1  0.46  0.41  0.67  1.0
  O  O9  1  0.79  0.41  0.3  1.0
  O  O10  1  0.09  0.14  0.64  1.0
  O  O11  1  0.77  0.14  0.02  1.0

data_YTaO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.16
_cell_length_b   5.35
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaO4
_chemical_formula_sum   'Y2 Ta2 O8'
_cell_volume   152.1
_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
  Y  Y0  1  0.15  0.67  0.71  1.0
  Y  Y1  1  0.46  0.01  0.74  1.0
  Ta  Ta2  1  0.57  0.67  0.16  1.0
  Ta  Ta3  1  0.88  0.01  0.29  1.0
  O  O4  1  0.07  0.8  0.51  1.0
  O  O5  1  0.21  0.7  0.59  1.0
  O  O6  1  0.23  0.98  0.86  1.0
  O  O7  1  0.37  0.88  0.94  1.0
  O  O8  1  0.54  0.33  0.59  1.0
  O  O9  1  0.68  0.22  0.51  1.0
  O  O10  1  0.77  0.46  0.94  1.0
  O  O11  1  0.91  0.36  0.86  1.0

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