data_TmClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmClO
_chemical_formula_sum   'Tm2 Cl2 O2'
_cell_volume   99.14
_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  0.0  0.92  0.1  1.0
  Tm  Tm1  1  0.92  0.0  0.6  1.0
  Cl  Cl2  1  0.0  0.92  0.21  1.0
  Cl  Cl3  1  0.92  0.0  0.48  1.0
  O  O4  1  0.0  0.0  0.0  1.0
  O  O5  1  0.92  0.92  0.0  1.0

data_TmClO
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   6.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TmClO
_chemical_formula_sum   'Tm4 Cl4 O4'
_cell_volume   198.28
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.1  1.0
  Tm  Tm1  2  0.42  0.5  0.6  1.0
  Cl  Cl2  2  0.0  0.0  0.21  1.0
  Cl  Cl3  2  0.42  0.5  0.48  1.0
  O  O4  4  0.46  0.46  0.0  1.0

Tm Tm Cl Cl O O
Tm Tm Cl Cl O O 0 5 - o o 0 4 o + o 0 2 o o o 1 3 o o o 4 5 - - o 