data_TaTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   3.03
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl
_chemical_formula_sum   'Ta2 Tl2'
_cell_volume   83.11
_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
  Ta  Ta0  1  0.86  0.0  0.4  1.0
  Ta  Ta1  1  0.29  0.0  0.94  1.0
  Tl  Tl2  1  0.86  0.51  0.82  1.0
  Tl  Tl3  1  0.29  0.51  0.51  1.0

data_TaTl
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   5.14
_cell_length_b   3.03
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   TaTl
_chemical_formula_sum   'Ta2 Tl2'
_cell_volume   83.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  '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
  Ta  Ta0  2  0.21  0.0  0.77  1.0
  Tl  Tl1  2  0.21  0.5  0.34  1.0

Ta Ta Tl Tl