data_BaYTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   6.9
_cell_angle_alpha   93.09
_cell_angle_beta   93.09
_cell_angle_gamma   32.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYTa2
_chemical_formula_sum   'Ba1 Y1 Ta2'
_cell_volume   118.48
_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  0.22  0.0  0.44  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.95  0.0  0.1  1.0
  Ta  Ta2  1  0.49  0.0  0.79  1.0

data_BaYTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.64
_cell_length_c   6.9
_cell_angle_alpha   93.09
_cell_angle_beta   90.0
_cell_angle_gamma   106.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYTa2
_chemical_formula_sum   'Ba1 Y1 Ta2'
_cell_volume   118.48
_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  0.0  0.78  0.56  1.0
  Y  Y1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.05  0.9  1.0
  Ta  Ta3  1  0.0  0.51  0.21  1.0

Ba Y Ta Ta
Ba Y Ta Ta 0 1 o o o 0 2 - o o 0 0 + - o 0 3 o o o 1 2 - o o 1 3 o o - 1 3 - o - 2 3 o o - 3 3 + - o 