data_TbCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   8.5
_cell_length_c   23.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCl3
_chemical_formula_sum   'Tb2 Cl6'
_cell_volume   774.2
_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
  Tb  Tb0  1  0.0  0.5  0.08  1.0
  Tb  Tb1  1  0.5  0.0  0.09  1.0
  Cl  Cl2  1  0.0  0.82  0.03  1.0
  Cl  Cl3  1  0.5  0.5  0.0  1.0
  Cl  Cl4  1  0.0  0.18  0.03  1.0
  Cl  Cl5  1  0.5  0.68  0.13  1.0
  Cl  Cl6  1  0.5  0.32  0.13  1.0
  Cl  Cl7  1  0.0  0.0  0.17  1.0

Tb Tb Cl Cl Cl Cl Cl Cl 0 6 - o o 0 6 o o o 0 3 - o o 0 3 o o o 0 5 - o o 0 5 o o o 0 4 o o o 0 2 o o o 1 2 o - o 1 2 + - o 1 4 o o o 1 4 + o o 1 7 o o o 1 7 + o o 1 5 o - o 1 6 o o o 2 3 - o o 2 3 o o o 2 5 - o o 2 5 o o o 2 4 o + o 3 4 + o o 3 4 o o o 4 6 - o o 4 6 o o o 5 7 o + o 5 7 + + o 5 6 o o o 6 7 o o o 6 7 + o o 
data_TbCl3
_symmetry_space_group_name_H-M   Pmmn
_cell_length_a   3.8
_cell_length_b   8.5
_cell_length_c   23.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   59
_chemical_formula_structural   TbCl3
_chemical_formula_sum   'Tb2 Cl6'
_cell_volume   774.2
_cell_formula_units_Z   2
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'
  5  '-x+1/2, -y+1/2, -z'
  6  'x+1/2, y+1/2, -z'
  7  '-x, y, z'
  8  '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
  Tb  Tb0  2  0.0  0.5  0.99  1.0
  Cl  Cl1  4  0.0  0.18  0.95  1.0
  Cl  Cl2  2  0.0  0.0  0.08  1.0
