data_Tm2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2O3
_chemical_formula_sum   'Tm2 O3'
_cell_volume   65.45
_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
  Tm  Tm0  1  0.8  0.04  0.35  1.0
  Tm  Tm1  1  0.0  0.08  0.45  1.0
  O  O2  1  0.8  0.04  0.06  1.0
  O  O3  1  0.0  0.08  0.75  1.0
  O  O4  1  0.0  0.0  0.0  1.0

data_Tm2O3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2O3
_chemical_formula_sum   'Tm2 O3'
_cell_volume   65.45
_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
  Tm  Tm0  1  0.0  0.08  0.45  1.0
  Tm  Tm1  1  0.8  0.04  0.35  1.0
  O  O2  1  0.0  0.0  0.0  1.0
  O  O3  1  0.0  0.08  0.75  1.0
  O  O4  1  0.8  0.04  0.06  1.0

Tm Tm O O O
Tm Tm O O O 0 1 + o o 1 3 o o o 2 4 + o o 3 4 o o + 