data_Na2YTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   121.79
_cell_angle_beta   120.0
_cell_angle_gamma   88.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YTl
_chemical_formula_sum   'Na2 Y1 Tl1'
_cell_volume   109.25
_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  0.7  0.83  1.0
  Na  Na1  1  0.0  0.0  0.79  1.0
  Y  Y3  1  0.0  0.0  0.94  1.0
  Tl  Tl2  1  0.0  0.7  0.03  1.0

data_Na2YTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.24
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   60.0
_cell_angle_beta   60.9
_cell_angle_gamma   60.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YTl
_chemical_formula_sum   'Na2 Y1 Tl1'
_cell_volume   109.25
_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  0.79  1.0
  Na  Na1  1  0.7  0.0  0.13  1.0
  Y  Y2  1  0.0  0.0  0.94  1.0
  Tl  Tl3  1  0.7  0.0  0.33  1.0

Na Na Y Tl