data_NaZrTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   146.87
_cell_angle_beta   129.23
_cell_angle_gamma   61.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrTl
_chemical_formula_sum   'Na1 Zr1 Tl1'
_cell_volume   72.47
_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  0.52  1.0
  Zr  Zr2  1  0.0  0.0  0.43  1.0
  Tl  Tl1  1  0.0  0.0  0.16  1.0

data_NaZrTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.78
_cell_length_c   5.57
_cell_angle_alpha   115.39
_cell_angle_beta   106.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrTl
_chemical_formula_sum   'Na1 Zr1 Tl1'
_cell_volume   72.47
_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  0.52  0.52  1.0
  Zr  Zr1  1  0.0  0.43  0.43  1.0
  Tl  Tl2  1  0.0  0.16  0.16  1.0

Na Zr Tl