data_Rb3Tm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.04
_cell_length_b   9.04
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Tm
_chemical_formula_sum   'Rb6 Tm2'
_cell_volume   521.33
_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
  Rb  Rb0  1  0.0  0.71  0.53  1.0
  Rb  Rb1  1  0.17  0.47  0.53  1.0
  Rb  Rb2  1  0.83  0.47  0.53  1.0
  Rb  Rb3  1  0.52  0.12  0.84  1.0
  Rb  Rb4  1  0.34  0.35  0.84  1.0
  Rb  Rb5  1  0.69  0.35  0.84  1.0
  Tm  Tm6  1  0.0  0.22  0.84  1.0
  Tm  Tm7  1  0.52  0.61  0.53  1.0

data_Rb3Tm
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.37
_cell_length_b   9.04
_cell_length_c   9.04
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Rb3Tm
_chemical_formula_sum   'Rb6 Tm2'
_cell_volume   521.33
_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
  Rb  Rb0  2  0.34  0.57  0.06  1.0
  Rb  Rb1  2  0.34  0.74  0.29  1.0
  Rb  Rb2  2  0.34  0.91  0.06  1.0
  Tm  Tm3  2  0.34  0.26  0.2  1.0

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