data_BaTaTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.87
_cell_angle_alpha   152.13
_cell_angle_beta   143.79
_cell_angle_gamma   46.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTaTl
_chemical_formula_sum   'Ba1 Ta1 Tl1'
_cell_volume   89.29
_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  0.0  0.04  1.0
  Ta  Ta1  1  0.0  0.0  0.88  1.0
  Tl  Tl2  1  0.0  0.0  0.72  1.0

data_BaTaTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.27
_cell_length_c   6.87
_cell_angle_alpha   108.11
_cell_angle_beta   103.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTaTl
_chemical_formula_sum   'Ba1 Ta1 Tl1'
_cell_volume   89.29
_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  0.96  0.96  0.96  1.0
  Ta  Ta1  1  0.12  0.12  0.12  1.0
  Tl  Tl2  1  0.28  0.28  0.28  1.0

Ba Ta Tl