data_ZrTlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49
_cell_length_b   7.24
_cell_length_c   3.17
_cell_angle_alpha   82.03
_cell_angle_beta   73.18
_cell_angle_gamma   24.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTlZn
_chemical_formula_sum   'Zr1 Tl1 Zn1'
_cell_volume   65.69
_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
  Zr  Zr2  1  0.78  0.62  0.55  1.0
  Tl  Tl0  1  0.78  0.62  0.08  1.0
  Zn  Zn1  1  0.78  0.62  0.4  1.0

data_ZrTlZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.57
_cell_length_b   14.04
_cell_length_c   3.17
_cell_angle_alpha   90.0
_cell_angle_beta   124.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrTlZn
_chemical_formula_sum   'Zr2 Tl2 Zn2'
_cell_volume   131.37
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.28  0.5  0.34  1.0
  Tl  Tl1  2  0.28  0.5  0.87  1.0
  Zn  Zn2  2  0.28  0.5  0.19  1.0

Zr Tl Zn
Zr Tl Zn 0 2 o o o 1 2 o o o 