data_Tl2GaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   140.27
_cell_angle_beta   140.27
_cell_angle_gamma   57.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaB
_chemical_formula_sum   'Tl2 Ga1 B1'
_cell_volume   89.71
_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
  Tl  Tl2  1  0.0  0.0  0.31  1.0
  Tl  Tl3  1  0.0  0.06  0.65  1.0
  Ga  Ga1  1  0.06  0.0  0.65  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Tl2GaB
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   6.05
_cell_angle_alpha   109.86
_cell_angle_beta   109.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GaB
_chemical_formula_sum   'Tl2 Ga1 B1'
_cell_volume   89.71
_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
  Tl  Tl0  1  0.4  0.06  0.4  1.0
  Tl  Tl1  1  0.69  0.0  0.69  1.0
  Ga  Ga2  1  0.35  0.0  0.4  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Tl Tl Ga B