data_Dy2Ni2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   133.82
_cell_angle_beta   116.65
_cell_angle_gamma   81.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Ni2Sn
_chemical_formula_sum   'Dy2 Ni2 Sn1'
_cell_volume   100.88
_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
  Dy  Dy0  1  0.14  0.0  0.44  1.0
  Dy  Dy1  1  0.0  0.86  0.67  1.0
  Ni  Ni2  1  0.0  0.19  0.12  1.0
  Ni  Ni3  1  0.14  0.67  0.0  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0

data_Dy2Ni2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   63.35
_cell_angle_beta   66.91
_cell_angle_gamma   66.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2Ni2Sn
_chemical_formula_sum   'Dy2 Ni2 Sn1'
_cell_volume   100.88
_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
  Dy  Dy0  1  0.31  0.14  0.56  1.0
  Dy  Dy1  1  0.67  -0.0  0.19  1.0
  Ni  Ni2  1  0.12  -0.0  0.07  1.0
  Ni  Ni3  1  0.86  0.14  0.67  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0

Dy Dy Ni Ni Sn
Dy Dy Ni Ni Sn 0 3 o - o 1 4 o + + 2 4 o o o 3 4 o + o 