data_TmGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.54
_cell_length_b   10.54
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmGe3
_chemical_formula_sum   'Tm2 Ge6'
_cell_volume   163.34
_cell_formula_units_Z   2
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
  Tm  Tm0  1  0.01  0.35  0.95  1.0
  Tm  Tm1  1  0.01  0.65  0.98  1.0
  Ge  Ge2  1  0.01  0.16  0.95  1.0
  Ge  Ge3  1  0.01  0.84  0.98  1.0
  Ge  Ge4  1  0.01  0.89  0.95  1.0
  Ge  Ge5  1  0.01  0.11  0.98  1.0
  Ge  Ge6  1  0.01  0.6  0.98  1.0
  Ge  Ge7  1  0.01  0.4  0.95  1.0

data_TmGe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.93
_cell_length_b   4.02
_cell_length_c   10.54
_cell_angle_alpha   100.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TmGe3
_chemical_formula_sum   'Tm2 Ge6'
_cell_volume   163.34
_cell_formula_units_Z   2
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
  Tm  Tm0  2  0.48  0.65  0.65  1.0
  Ge  Ge1  2  0.48  0.11  0.11  1.0
  Ge  Ge2  2  0.48  0.84  0.84  1.0
  Ge  Ge3  2  0.48  0.6  0.6  1.0

Tm Tm Ge Ge Ge Ge Ge Ge