data_LaTb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33
_cell_length_b   7.33
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTb3
_chemical_formula_sum   'La2 Tb6'
_cell_volume   270.38
_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
  La  La0  1  0.0  0.23  0.45  1.0
  La  La1  1  0.66  0.12  0.36  1.0
  Tb  Tb2  1  0.0  0.09  0.36  1.0
  Tb  Tb3  1  0.15  0.3  0.36  1.0
  Tb  Tb4  1  0.85  0.3  0.36  1.0
  Tb  Tb5  1  0.66  0.25  0.45  1.0
  Tb  Tb6  1  0.51  0.05  0.45  1.0
  Tb  Tb7  1  0.81  0.05  0.45  1.0

data_LaTb3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.81
_cell_length_b   7.33
_cell_length_c   7.33
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaTb3
_chemical_formula_sum   'La2 Tb6'
_cell_volume   270.38
_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
  Tb  Tb0  2  0.05  0.18  0.87  1.0
  Tb  Tb1  2  0.05  0.33  0.08  1.0
  Tb  Tb2  2  0.05  0.48  0.87  1.0
  La  La3  2  0.05  0.67  0.06  1.0

La La Tb Tb Tb Tb Tb Tb