data_Tb5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   9.32
_cell_length_c   9.32
_cell_angle_alpha   22.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb5Mg
_chemical_formula_sum   'Tb5 Mg1'
_cell_volume   185.32
_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  Tb0  1  0.82  0.0  0.26  1.0
  Tb  Tb1  1  0.82  0.0  0.01  1.0
  Tb  Tb2  1  0.82  0.0  0.21  1.0
  Tb  Tb3  1  0.0  0.0  0.15  1.0
  Tb  Tb4  1  0.0  0.0  0.1  1.0
  Mg  Mg5  1  0.0  0.0  0.22  1.0

data_Tb5Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.64
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   101.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb5Mg
_chemical_formula_sum   'Tb5 Mg1'
_cell_volume   185.32
_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  Tb0  1  0.74  0.82  0.74  1.0
  Tb  Tb1  1  0.79  0.82  0.79  1.0
  Tb  Tb2  1  0.85  0.0  0.85  1.0
  Tb  Tb3  1  0.9  0.0  0.9  1.0
  Tb  Tb4  1  0.99  0.82  0.99  1.0
  Mg  Mg5  1  0.78  0.0  0.78  1.0

Tb Tb Tb Tb Tb Mg