data_Sc(NiSn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.66
_cell_length_b   7.66
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(NiSn)2
_chemical_formula_sum   'Sc2 Ni4 Sn4'
_cell_volume   177.01
_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
  Sc  Sc4  1  0.0  0.0  0.0  1.0
  Sc  Sc5  1  0.83  0.83  0.0  1.0
  Ni  Ni0  1  0.16  0.99  0.51  1.0
  Ni  Ni1  1  0.5  0.67  0.51  1.0
  Ni  Ni2  1  0.67  0.16  0.51  1.0
  Ni  Ni3  1  0.99  0.5  0.51  1.0
  Sn  Sn6  1  0.72  0.55  0.0  1.0
  Sn  Sn7  1  0.94  0.11  0.0  1.0
  Sn  Sn8  1  0.11  0.72  0.0  1.0
  Sn  Sn9  1  0.55  0.94  0.0  1.0

data_Sc(NiSn)2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.66
_cell_length_b   3.02
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sc(NiSn)2
_chemical_formula_sum   'Sc2 Ni4 Sn4'
_cell_volume   177.01
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.83  0.0  0.83  1.0
  Ni  Ni2  1  0.16  0.5  0.99  1.0
  Ni  Ni3  1  0.5  0.5  0.67  1.0
  Ni  Ni4  1  0.67  0.5  0.16  1.0
  Ni  Ni5  1  0.99  0.5  0.5  1.0
  Sn  Sn6  1  0.11  0.0  0.72  1.0
  Sn  Sn7  1  0.55  0.0  0.94  1.0
  Sn  Sn8  1  0.72  0.0  0.55  1.0
  Sn  Sn9  1  0.94  0.0  0.11  1.0

Sc Sc Ni Ni Ni Ni Sn Sn Sn Sn