data_Tl2SnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37
_cell_length_b   7.37
_cell_length_c   7.37
_cell_angle_alpha   148.25
_cell_angle_beta   145.69
_cell_angle_gamma   47.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnAs
_chemical_formula_sum   'Tl2 Sn1 As1'
_cell_volume   118.41
_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  0.0  0.17  0.26  1.0
  Tl  Tl3  1  0.02  0.0  0.49  1.0
  Sn  Sn1  1  0.0  0.0  0.75  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Tl2SnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.35
_cell_length_c   7.37
_cell_angle_alpha   107.16
_cell_angle_beta   105.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnAs
_chemical_formula_sum   'Tl2 Sn1 As1'
_cell_volume   118.41
_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  0.49  0.48  1.0
  Tl  Tl1  1  0.83  0.08  0.08  1.0
  Sn  Sn2  1  0.0  0.75  0.75  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Tl Tl Sn As