data_BaScTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.65
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   92.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaScTa2
_chemical_formula_sum   'Ba1 Sc1 Ta2'
_cell_volume   108.39
_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  0.32  0.33  0.59  1.0
  Sc  Sc1  1  0.56  0.0  0.26  1.0
  Ta  Ta2  1  0.0  0.33  0.22  1.0
  Ta  Ta3  1  0.19  0.0  0.22  1.0

data_BaScTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.65
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   92.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaScTa2
_chemical_formula_sum   'Ba1 Sc1 Ta2'
_cell_volume   108.39
_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  0.32  0.33  0.59  1.0
  Sc  Sc1  1  0.56  0.0  0.26  1.0
  Ta  Ta2  1  0.0  0.33  0.22  1.0
  Ta  Ta3  1  0.19  0.0  0.22  1.0

Ba Sc Ta Ta