data_NaLa2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   5.56
_cell_angle_alpha   113.38
_cell_angle_beta   113.38
_cell_angle_gamma   35.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Tl
_chemical_formula_sum   'Na1 La2 Tl1'
_cell_volume   128.42
_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  0.87  0.0  0.35  1.0
  La  La0  1  0.16  0.0  0.01  1.0
  La  La1  1  0.36  0.0  0.84  1.0
  Tl  Tl3  1  0.91  0.0  0.38  1.0

data_NaLa2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   5.56
_cell_length_c   6.58
_cell_angle_alpha   113.38
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Tl
_chemical_formula_sum   'Na1 La2 Tl1'
_cell_volume   128.42
_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  0.35  0.87  1.0
  La  La1  1  0.0  0.01  0.16  1.0
  La  La2  1  0.0  0.84  0.36  1.0
  Tl  Tl3  1  0.0  0.38  0.91  1.0

Na La La Tl