data_ScSn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   7.82
_cell_angle_alpha   106.2
_cell_angle_beta   106.2
_cell_angle_gamma   33.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn5
_chemical_formula_sum   'Sc1 Sn5'
_cell_volume   155.43
_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
  Sc  Sc0  1  0.75  0.0  0.45  1.0
  Sn  Sn1  1  0.33  0.0  0.98  1.0
  Sn  Sn2  1  0.07  0.0  0.29  1.0
  Sn  Sn3  1  0.54  0.0  0.52  1.0
  Sn  Sn4  1  0.21  0.0  0.97  1.0
  Sn  Sn5  1  0.28  0.0  0.46  1.0

data_ScSn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   6.15
_cell_length_c   7.82
_cell_angle_alpha   106.2
_cell_angle_beta   90.0
_cell_angle_gamma   106.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn5
_chemical_formula_sum   'Sc1 Sn5'
_cell_volume   155.43
_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
  Sc  Sc0  1  0.0  0.25  0.55  1.0
  Sn  Sn1  1  0.0  0.46  0.48  1.0
  Sn  Sn2  1  0.0  0.67  0.02  1.0
  Sn  Sn3  1  0.0  0.72  0.54  1.0
  Sn  Sn4  1  0.0  0.79  0.03  1.0
  Sn  Sn5  1  0.0  0.93  0.71  1.0

Sc Sn Sn Sn Sn Sn