data_NaTlIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.76
_cell_angle_alpha   98.97
_cell_angle_beta   98.97
_cell_angle_gamma   34.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlIn2
_chemical_formula_sum   'Na1 Tl1 In2'
_cell_volume   111.81
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.16  0.0  0.84  1.0
  In  In0  1  0.11  0.0  0.26  1.0
  In  In1  1  0.21  0.0  0.43  1.0

data_NaTlIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.76
_cell_length_c   5.89
_cell_angle_alpha   98.97
_cell_angle_beta   107.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlIn2
_chemical_formula_sum   'Na1 Tl1 In2'
_cell_volume   111.81
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.84  0.16  1.0
  In  In2  1  0.0  0.26  0.11  1.0
  In  In3  1  0.0  0.43  0.21  1.0

Na Tl In In