data_Tm3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Sb
_chemical_formula_sum   'Tm6 Sb2'
_cell_volume   213.23
_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  Tm2  1  0.0  0.97  0.06  1.0
  Tm  Tm3  1  0.67  0.86  0.06  1.0
  Tm  Tm4  1  0.33  0.86  0.06  1.0
  Tm  Tm5  1  0.37  0.87  0.35  1.0
  Tm  Tm6  1  0.71  0.98  0.35  1.0
  Tm  Tm7  1  0.04  0.98  0.35  1.0
  Sb  Sb0  1  0.0  0.89  0.35  1.0
  Sb  Sb1  1  0.37  0.95  0.06  1.0

data_Tm3Sb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.41
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tm3Sb
_chemical_formula_sum   'Tm6 Sb2'
_cell_volume   213.23
_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  0.15  0.19  0.45  1.0
  Tm  Tm1  2  0.15  0.52  0.56  1.0
  Tm  Tm2  2  0.15  0.85  0.56  1.0
  Sb  Sb3  2  0.15  0.81  0.47  1.0

Tm Tm Tm Tm Tm Tm Sb Sb
Tm Tm Tm Tm Tm Tm Sb Sb 0 6 o o o 0 5 o o o 0 1 - o o 1 4 o o o 2 7 o o o 2 3 o o o 3 7 o o o 3 4 o o o 5 6 o o o 