data_TbSm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   132.14
_cell_angle_beta   132.14
_cell_angle_gamma   70.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbSm3
_chemical_formula_sum   'Tb1 Sm3'
_cell_volume   132.31
_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
  Tb  Tb3  1  0.0  0.0  0.13  1.0
  Sm  Sm0  1  0.0  0.0  0.0  1.0
  Sm  Sm1  1  0.54  0.0  0.56  1.0
  Sm  Sm2  1  0.0  0.54  0.56  1.0

data_TbSm3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   125.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TbSm3
_chemical_formula_sum   'Tb2 Sm6'
_cell_volume   264.62
_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
  Tb  Tb0  2  0.0  0.0  0.13  1.0
  Sm  Sm1  4  0.23  0.23  0.02  1.0
  Sm  Sm2  2  0.0  0.0  0.0  1.0

Tb Sm Sm Sm