data_TlGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGe2Pb
_chemical_formula_sum   'Tl1 Ge2 Pb1'
_cell_volume   101.91
_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  0.0  1.0
  Ge  Ge0  1  0.69  0.25  0.68  1.0
  Ge  Ge1  1  0.69  0.75  0.68  1.0
  Pb  Pb2  1  0.37  0.0  0.0  1.0

data_TlGe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   106.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGe2Pb
_chemical_formula_sum   'Tl1 Ge2 Pb1'
_cell_volume   101.91
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.68  0.69  0.25  1.0
  Ge  Ge2  1  0.68  0.69  0.75  1.0
  Pb  Pb3  1  0.0  0.37  0.0  1.0

Tl Ge Ge Pb