data_TlCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   6.72
_cell_angle_alpha   109.75
_cell_angle_beta   109.75
_cell_angle_gamma   43.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCuSn2
_chemical_formula_sum   'Tl1 Cu1 Sn2'
_cell_volume   101.04
_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  0.91  0.0  0.99  1.0
  Cu  Cu0  1  0.47  0.0  0.94  1.0
  Sn  Sn1  1  0.15  0.0  0.47  1.0
  Sn  Sn2  1  0.24  0.0  0.99  1.0

data_TlCuSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.83
_cell_length_c   6.72
_cell_angle_alpha   109.75
_cell_angle_beta   90.0
_cell_angle_gamma   111.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCuSn2
_chemical_formula_sum   'Tl1 Cu1 Sn2'
_cell_volume   101.04
_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  0.09  0.01  1.0
  Cu  Cu1  1  0.0  0.53  0.06  1.0
  Sn  Sn2  1  0.0  0.76  0.01  1.0
  Sn  Sn3  1  0.0  0.85  0.53  1.0

Tl Cu Sn Sn