data_TlZnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   142.36
_cell_angle_beta   130.34
_cell_angle_gamma   63.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnCu2
_chemical_formula_sum   'Tl1 Zn1 Cu2'
_cell_volume   64.39
_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  0.68  0.0  0.36  1.0
  Zn  Zn3  1  0.0  0.0  0.77  1.0
  Cu  Cu0  1  0.68  0.0  0.06  1.0
  Cu  Cu1  1  0.0  0.0  0.03  1.0

data_TlZnCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.36
_cell_length_c   5.19
_cell_angle_alpha   114.83
_cell_angle_beta   108.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlZnCu2
_chemical_formula_sum   'Tl1 Zn1 Cu2'
_cell_volume   64.39
_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  0.32  0.64  0.32  1.0
  Zn  Zn1  1  0.23  0.23  0.23  1.0
  Cu  Cu2  1  0.62  0.94  0.62  1.0
  Cu  Cu3  1  0.97  0.97  0.97  1.0

Tl Zn Cu Cu