data_Tl2AgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   7.51
_cell_angle_alpha   106.55
_cell_angle_beta   106.55
_cell_angle_gamma   57.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AgBr
_chemical_formula_sum   'Tl2 Ag1 Br1'
_cell_volume   129.4
_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
  Tl  Tl2  1  0.25  0.0  0.12  1.0
  Tl  Tl3  1  0.51  0.0  0.98  1.0
  Ag  Ag0  1  0.88  0.0  0.55  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_Tl2AgBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.66
_cell_length_c   7.51
_cell_angle_alpha   106.55
_cell_angle_beta   90.0
_cell_angle_gamma   118.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AgBr
_chemical_formula_sum   'Tl2 Ag1 Br1'
_cell_volume   129.4
_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
  Tl  Tl0  1  0.0  0.49  0.02  1.0
  Tl  Tl1  1  0.0  0.75  0.88  1.0
  Ag  Ag2  1  0.0  0.12  0.45  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Tl Tl Ag Br