data_TaTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   7.36
_cell_angle_alpha   104.51
_cell_angle_beta   104.51
_cell_angle_gamma   29.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl
_chemical_formula_sum   'Ta3 Tl3'
_cell_volume   133.51
_cell_formula_units_Z   3
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  0.53  0.0  0.36  1.0
  Ta  Ta1  1  0.68  0.0  0.66  1.0
  Ta  Ta2  1  0.72  0.0  0.19  1.0
  Tl  Tl3  1  1.0  0.0  0.11  1.0
  Tl  Tl4  1  0.52  0.0  0.14  1.0
  Tl  Tl5  1  0.97  0.0  0.69  1.0

data_TaTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   6.16
_cell_length_c   7.36
_cell_angle_alpha   104.51
_cell_angle_beta   90.0
_cell_angle_gamma   104.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTl
_chemical_formula_sum   'Ta3 Tl3'
_cell_volume   133.51
_cell_formula_units_Z   3
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  0.0  0.28  0.81  1.0
  Ta  Ta1  1  0.0  0.32  0.34  1.0
  Ta  Ta2  1  0.0  0.47  0.64  1.0
  Tl  Tl3  1  0.0  0.0  0.89  1.0
  Tl  Tl4  1  0.0  0.03  0.31  1.0
  Tl  Tl5  1  0.0  0.48  0.86  1.0

Ta Ta Ta Tl Tl Tl