data_TmSnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.3
_cell_length_b   8.3
_cell_length_c   4.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   150.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmSnGe
_chemical_formula_sum   'Tm2 Sn2 Ge2'
_cell_volume   138.53
_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  Tm4  1  0.13  0.47  0.01  1.0
  Tm  Tm5  1  0.13  0.53  0.04  1.0
  Sn  Sn2  1  0.13  0.95  0.01  1.0
  Sn  Sn3  1  0.13  0.05  0.04  1.0
  Ge  Ge0  1  0.13  0.88  0.04  1.0
  Ge  Ge1  1  0.13  0.12  0.01  1.0

data_TmSnGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.05
_cell_length_b   4.26
_cell_length_c   8.3
_cell_angle_alpha   104.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TmSnGe
_chemical_formula_sum   'Tm2 Sn2 Ge2'
_cell_volume   138.53
_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  0.01  0.47  0.47  1.0
  Sn  Sn1  2  0.01  0.95  0.95  1.0
  Ge  Ge2  2  0.01  0.12  0.12  1.0

Tm Tm Sn Sn Ge Ge
Tm Tm Sn Sn Ge Ge 0 1 o o o 2 4 o o o 3 5 o o o 