data_NaTl2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.65
_cell_angle_alpha   102.01
_cell_angle_beta   102.01
_cell_angle_gamma   34.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2Ga
_chemical_formula_sum   'Na1 Tl2 Ga1'
_cell_volume   106.92
_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  Na1  1  0.77  0.0  0.14  1.0
  Tl  Tl2  1  0.88  0.0  0.46  1.0
  Tl  Tl3  1  0.09  0.0  0.51  1.0
  Ga  Ga0  1  0.93  0.0  0.68  1.0

data_NaTl2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.65
_cell_length_c   5.82
_cell_angle_alpha   102.01
_cell_angle_beta   107.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTl2Ga
_chemical_formula_sum   'Na1 Tl2 Ga1'
_cell_volume   106.92
_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  0.14  0.77  1.0
  Tl  Tl1  1  0.0  0.46  0.88  1.0
  Tl  Tl2  1  0.0  0.51  0.09  1.0
  Ga  Ga3  1  0.0  0.68  0.93  1.0

Na Tl Tl Ga