data_Y3Tm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Tm
_chemical_formula_sum   'Y6 Tm2'
_cell_volume   260.0
_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
  Y  Y0  1  0.82  0.05  0.43  1.0
  Y  Y1  1  0.42  0.05  0.43  1.0
  Y  Y2  1  0.62  0.17  0.43  1.0
  Y  Y3  1  0.8  0.22  0.29  1.0
  Y  Y4  1  0.2  0.22  0.29  1.0
  Y  Y5  1  0.0  0.1  0.29  1.0
  Tm  Tm6  1  0.62  0.09  0.29  1.0
  Tm  Tm7  1  0.0  0.18  0.43  1.0

data_Y3Tm
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.72
_cell_length_b   7.24
_cell_length_c   7.24
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y3Tm
_chemical_formula_sum   'Y6 Tm2'
_cell_volume   260.0
_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
  Y  Y0  2  0.07  0.11  0.91  1.0
  Y  Y1  2  0.07  0.31  0.03  1.0
  Y  Y2  2  0.07  0.51  0.91  1.0
  Tm  Tm3  2  0.07  0.69  0.05  1.0

Y Y Y Y Y Y Tm Tm
Y Y Y Y Y Y Tm Tm 0 5 + o o 0 7 + o o 1 2 o o o 2 6 o o o 2 3 o o o 3 6 o o o 4 5 o o o 5 7 o o o 