data_LaTlB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   151.84
_cell_angle_beta   145.84
_cell_angle_gamma   44.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlB2
_chemical_formula_sum   'La1 Tl1 B2'
_cell_volume   79.76
_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
  La  La2  1  0.0  0.0  0.3  1.0
  Tl  Tl3  1  0.63  0.0  0.97  1.0
  B  B0  1  0.0  0.0  0.04  1.0
  B  B1  1  0.0  0.97  0.49  1.0

data_LaTlB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.94
_cell_length_c   6.71
_cell_angle_alpha   107.08
_cell_angle_beta   104.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlB2
_chemical_formula_sum   'La1 Tl1 B2'
_cell_volume   79.76
_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
  La  La0  1  0.0  0.3  0.3  1.0
  Tl  Tl1  1  0.0  0.97  0.34  1.0
  B  B2  1  0.0  0.04  0.04  1.0
  B  B3  1  0.03  0.52  0.52  1.0

La Tl B B