data_Ta2TlBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   5.37
_cell_angle_alpha   110.71
_cell_angle_beta   110.71
_cell_angle_gamma   29.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlBr
_chemical_formula_sum   'Ta2 Tl1 Br1'
_cell_volume   91.87
_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
  Ta  Ta1  1  0.7  0.0  0.83  1.0
  Ta  Ta2  1  0.75  0.0  0.29  1.0
  Tl  Tl3  1  0.01  0.0  0.46  1.0
  Br  Br0  1  0.06  0.0  0.92  1.0

data_Ta2TlBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.37
_cell_length_c   6.09
_cell_angle_alpha   110.71
_cell_angle_beta   104.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlBr
_chemical_formula_sum   'Ta2 Tl1 Br1'
_cell_volume   91.87
_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
  Ta  Ta0  1  0.0  0.29  0.75  1.0
  Ta  Ta1  1  0.0  0.83  0.7  1.0
  Tl  Tl2  1  0.0  0.46  0.01  1.0
  Br  Br3  1  0.0  0.92  0.06  1.0

Ta Ta Tl Br