data_BaLaTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   8.01
_cell_angle_alpha   91.98
_cell_angle_beta   91.98
_cell_angle_gamma   37.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaTa2
_chemical_formula_sum   'Ba1 La1 Ta2'
_cell_volume   119.38
_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  0.51  0.0  0.35  1.0
  La  La1  1  0.89  0.0  0.44  1.0
  Ta  Ta2  1  0.02  0.0  0.61  1.0
  Ta  Ta3  1  0.18  0.0  0.61  1.0

data_BaLaTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.93
_cell_length_c   8.01
_cell_angle_alpha   91.98
_cell_angle_beta   90.0
_cell_angle_gamma   108.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaTa2
_chemical_formula_sum   'Ba1 La1 Ta2'
_cell_volume   119.38
_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  0.49  0.65  1.0
  La  La1  1  0.0  0.11  0.56  1.0
  Ta  Ta2  1  0.0  0.82  0.39  1.0
  Ta  Ta3  1  0.0  0.98  0.39  1.0

Ba La Ta Ta