data_TlCu2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   3.27
_cell_angle_alpha   95.52
_cell_angle_beta   95.52
_cell_angle_gamma   92.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu2Sn
_chemical_formula_sum   'Tl1 Cu2 Sn1'
_cell_volume   77.54
_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  0.38  0.0  0.0  1.0
  Cu  Cu0  1  0.46  0.23  0.62  1.0
  Cu  Cu1  1  0.46  0.77  0.62  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0

data_TlCu2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   92.75
_cell_angle_beta   95.52
_cell_angle_gamma   95.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCu2Sn
_chemical_formula_sum   'Tl1 Cu2 Sn1'
_cell_volume   77.54
_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  0.38  0.0  1.0
  Cu  Cu1  1  0.62  0.46  0.23  1.0
  Cu  Cu2  1  0.62  0.46  0.77  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

Tl Cu Cu Sn