data_Tb2Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   134.23
_cell_angle_beta   116.86
_cell_angle_gamma   81.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Ni2Sn
_chemical_formula_sum   'Tb2 Ni2 Sn1'
_cell_volume   100.36
_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  0.86  0.67  1.0
  Tb  Tb1  1  0.12  0.0  0.47  1.0
  Ni  Ni2  1  0.0  0.19  0.14  1.0
  Ni  Ni3  1  0.12  0.67  0.0  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0

data_Tb2Ni2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   63.14
_cell_angle_beta   67.12
_cell_angle_gamma   67.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Ni2Sn
_chemical_formula_sum   'Tb2 Ni2 Sn1'
_cell_volume   100.36
_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  0.88  0.47  1.0
  Tb  Tb1  1  0.86  0.0  0.81  1.0
  Ni  Ni2  1  0.19  0.0  0.95  1.0
  Ni  Ni3  1  0.67  0.88  0.33  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0

Tb Tb Ni Ni Sn