data_TlCo2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   4.3
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCo2Ge
_chemical_formula_sum   'Tl1 Co2 Ge1'
_cell_volume   58.88
_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  0.55  0.15  0.0  1.0
  Co  Co0  1  0.0  0.15  0.2  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.55  0.0  0.2  1.0

data_TlCo2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.3
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCo2Ge
_chemical_formula_sum   'Tl1 Co2 Ge1'
_cell_volume   58.88
_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  0.55  0.15  -0.0  1.0
  Co  Co1  1  -0.0  0.15  0.2  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.55  0.0  0.2  1.0

Tl Co Co Ge
Tl Co Co Ge 0 3 o o o 1 2 o o o 