data_Tl2GaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   131.77
_cell_angle_beta   131.77
_cell_angle_gamma   70.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaSn
_chemical_formula_sum   'Tl2 Ga1 Sn1'
_cell_volume   110.18
_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  0.0  0.79  1.0
  Tl  Tl3  1  0.0  0.4  0.39  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.4  0.0  0.39  1.0

data_Tl2GaSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   5.87
_cell_angle_alpha   114.12
_cell_angle_beta   114.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaSn
_chemical_formula_sum   'Tl2 Ga1 Sn1'
_cell_volume   110.18
_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  0.4  0.0  1.0
  Tl  Tl1  1  0.21  0.0  0.21  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.61  0.0  0.0  1.0

Tl Tl Ga Sn