data_TlCoGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   4.01
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   108.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCoGe2
_chemical_formula_sum   'Tl1 Co1 Ge2'
_cell_volume   77.35
_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  0.82  0.0  0.95  1.0
  Co  Co0  1  0.93  0.0  0.11  1.0
  Ge  Ge1  1  0.67  0.0  0.16  1.0
  Ge  Ge2  1  0.53  0.0  0.58  1.0

data_TlCoGe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.71
_cell_length_b   4.01
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   108.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TlCoGe2
_chemical_formula_sum   'Tl1 Co1 Ge2'
_cell_volume   77.35
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.82  0.0  0.95  1.0
  Co  Co1  1  0.93  0.0  0.11  1.0
  Ge  Ge2  1  0.53  0.0  0.58  1.0
  Ge  Ge3  1  0.67  0.0  0.16  1.0

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