data_TmPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   38.07
_cell_angle_beta   38.07
_cell_angle_gamma   38.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmPb
_chemical_formula_sum   'Tm1 Pb1'
_cell_volume   54.29
_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  Tm1  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.53  1.0

data_TmPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.12
_cell_length_b   3.53
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   112.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TmPb
_chemical_formula_sum   'Tm2 Pb2'
_cell_volume   108.57
_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'
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  0.0  1.0
  Pb  Pb1  2  0.0  0.0  0.47  1.0

Tm Pb
Tm Pb 0 1 o o - 0 1 o o o 