data_Tb3Ni13B2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Ni13B2
_chemical_formula_sum   'Tb3 Ni13 B2'
_cell_volume   232.84
_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  Tb15  1  0.0  0.0  0.0  1.0
  Tb  Tb16  1  0.0  0.0  0.58  1.0
  Tb  Tb17  1  0.0  0.0  0.35  1.0
  Ni  Ni2  1  0.48  0.0  0.45  1.0
  Ni  Ni3  1  0.76  0.15  0.45  1.0
  Ni  Ni4  1  0.24  0.15  0.45  1.0
  Ni  Ni5  1  0.48  0.43  0.48  1.0
  Ni  Ni6  1  0.0  0.86  0.48  1.0
  Ni  Ni7  1  0.48  0.0  0.46  1.0
  Ni  Ni8  1  0.76  0.15  0.46  1.0
  Ni  Ni9  1  0.24  0.15  0.46  1.0
  Ni  Ni10  1  0.48  0.43  0.45  1.0
  Ni  Ni11  1  0.0  0.86  0.45  1.0
  Ni  Ni12  1  0.48  0.0  0.47  1.0
  Ni  Ni13  1  0.76  0.15  0.47  1.0
  Ni  Ni14  1  0.24  0.15  0.47  1.0
  B  B0  1  0.48  0.43  0.0  1.0
  B  B1  1  0.0  0.86  0.0  1.0

data_Tb3Ni13B2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Ni13B2
_chemical_formula_sum   'Tb3 Ni13 B2'
_cell_volume   232.84
_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  0.0  0.0  0.0  1.0
  Tb  Tb1  1  0.0  0.0  0.35  1.0
  Tb  Tb2  1  0.0  0.0  0.58  1.0
  Ni  Ni3  1  0.0  0.86  0.45  1.0
  Ni  Ni4  1  0.0  0.86  0.48  1.0
  Ni  Ni5  1  0.24  0.15  0.45  1.0
  Ni  Ni6  1  0.24  0.15  0.46  1.0
  Ni  Ni7  1  0.24  0.15  0.47  1.0
  Ni  Ni8  1  0.48  0.0  0.45  1.0
  Ni  Ni9  1  0.48  0.0  0.46  1.0
  Ni  Ni10  1  0.48  0.0  0.47  1.0
  Ni  Ni11  1  0.48  0.43  0.45  1.0
  Ni  Ni12  1  0.48  0.43  0.48  1.0
  Ni  Ni13  1  0.76  0.15  0.45  1.0
  Ni  Ni14  1  0.76  0.15  0.46  1.0
  Ni  Ni15  1  0.76  0.15  0.47  1.0
  B  B16  1  0.0  0.86  0.0  1.0
  B  B17  1  0.48  0.43  0.0  1.0

Tb Tb Tb Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni B B