data_Tl2GeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   7.32
_cell_angle_alpha   106.71
_cell_angle_beta   106.71
_cell_angle_gamma   48.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GeB
_chemical_formula_sum   'Tl2 Ge1 B1'
_cell_volume   97.93
_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  0.19  0.0  0.37  1.0
  Tl  Tl3  1  0.05  0.0  0.61  1.0
  Ge  Ge1  1  0.88  0.0  0.28  1.0
  B  B0  1  0.28  0.0  0.16  1.0

data_Tl2GeB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.34
_cell_length_c   7.32
_cell_angle_alpha   106.71
_cell_angle_beta   90.0
_cell_angle_gamma   114.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2GeB
_chemical_formula_sum   'Tl2 Ge1 B1'
_cell_volume   97.93
_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  0.0  0.81  0.63  1.0
  Tl  Tl1  1  0.0  0.95  0.39  1.0
  Ge  Ge2  1  0.0  0.12  0.72  1.0
  B  B3  1  0.0  0.72  0.84  1.0

Tl Tl Ge B