data_TlZnBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnBr
_chemical_formula_sum   'Tl1 Zn1 Br1'
_cell_volume   88.98
_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  Tl1  1  0.04  0.18  0.23  1.0
  Zn  Zn2  1  0.0  0.0  0.23  1.0
  Br  Br0  1  1.0  0.36  0.84  1.0

data_TlZnBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnBr
_chemical_formula_sum   'Tl1 Zn1 Br1'
_cell_volume   88.98
_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  0.04  0.18  0.23  1.0
  Zn  Zn1  1  0.0  0.0  0.23  1.0
  Br  Br2  1  1.0  0.36  0.84  1.0

Tl Zn Br
Tl Zn Br 0 1 o o o 0 2 - o - 1 2 - o - 