data_Na2TlB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   142.09
_cell_angle_beta   132.34
_cell_angle_gamma   62.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlB
_chemical_formula_sum   'Na2 Tl1 B1'
_cell_volume   84.27
_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  0.0  0.31  0.77  1.0
  Na  Na2  1  0.86  0.0  0.13  1.0
  Tl  Tl3  1  0.0  0.0  0.9  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Na2TlB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.63
_cell_length_c   5.73
_cell_angle_alpha   113.83
_cell_angle_beta   108.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TlB
_chemical_formula_sum   'Na2 Tl1 B1'
_cell_volume   84.27
_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  0.23  0.54  0.54  1.0
  Na  Na1  1  0.73  0.87  0.73  1.0
  Tl  Tl2  1  0.1  0.1  0.1  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Na Na Tl B