data_NaTlAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   130.69
_cell_angle_beta   130.69
_cell_angle_gamma   72.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlAg2
_chemical_formula_sum   'Na1 Tl1 Ag2'
_cell_volume   87.08
_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  0.24  0.0  0.17  1.0
  Ag  Ag0  1  0.0  0.0  0.34  1.0
  Ag  Ag1  1  0.0  0.24  0.17  1.0

data_NaTlAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.37
_cell_angle_alpha   114.65
_cell_angle_beta   114.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlAg2
_chemical_formula_sum   'Na1 Tl1 Ag2'
_cell_volume   87.08
_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  0.17  0.93  0.93  1.0
  Ag  Ag2  1  0.34  0.34  0.34  1.0
  Ag  Ag3  1  0.93  0.17  0.93  1.0

Na Tl Ag Ag