data_NaTlB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   7.14
_cell_angle_alpha   125.95
_cell_angle_beta   125.95
_cell_angle_gamma   35.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlB2
_chemical_formula_sum   'Na1 Tl1 B2'
_cell_volume   88.25
_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  Na2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.78  0.0  0.81  1.0
  B  B0  1  1.0  0.0  0.6  1.0
  B  B1  1  0.55  0.0  0.02  1.0

data_NaTlB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.22
_cell_length_c   5.87
_cell_angle_alpha   79.94
_cell_angle_beta   74.43
_cell_angle_gamma   72.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlB2
_chemical_formula_sum   'Na1 Tl1 B2'
_cell_volume   88.25
_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  0.0  1.0
  Tl  Tl1  1  0.0  0.96  0.81  1.0
  B  B2  1  0.0  0.39  0.6  1.0
  B  B3  1  0.0  0.53  0.02  1.0

Na Tl B B
Na Tl B B 0 1 - o - 0 2 - o - 0 3 o o o 0 3 - o o 1 2 o o o 1 3 o o + 2 3 + o + 