data_TlCu2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   4.22
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu2Sb
_chemical_formula_sum   'Tl1 Cu2 Sb1'
_cell_volume   79.16
_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  Tl3  1  0.87  0.11  0.0  1.0
  Cu  Cu0  1  0.0  0.11  0.51  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.87  0.0  0.51  1.0

data_TlCu2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.22
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu2Sb
_chemical_formula_sum   'Tl1 Cu2 Sb1'
_cell_volume   79.16
_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  0.87  0.11  -0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.0  0.11  0.51  1.0
  Sb  Sb3  1  0.87  0.0  0.51  1.0

Tl Cu Cu Sb
Tl Cu Cu Sb 0 2 + o o 1 3 - o o 