data_TlGe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   141.53
_cell_angle_beta   125.44
_cell_angle_gamma   68.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGe2Sb
_chemical_formula_sum   'Tl1 Ge2 Sb1'
_cell_volume   99.37
_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  Tl3  1  0.0  0.0  0.82  1.0
  Ge  Ge0  1  0.92  0.0  0.24  1.0
  Ge  Ge1  1  0.0  0.68  0.58  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0

data_TlGe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   5.35
_cell_length_c   5.84
_cell_angle_alpha   117.28
_cell_angle_beta   109.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGe2Sb
_chemical_formula_sum   'Tl1 Ge2 Sb1'
_cell_volume   99.37
_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  0.18  0.18  0.18  1.0
  Ge  Ge1  1  0.42  0.1  0.1  1.0
  Ge  Ge2  1  0.68  0.76  0.68  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Tl Ge Ge Sb