data_Sr2ScSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.51
_cell_length_b   11.51
_cell_length_c   11.51
_cell_angle_alpha   19.51
_cell_angle_beta   19.51
_cell_angle_gamma   19.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2ScSn
_chemical_formula_sum   'Sr2 Sc1 Sn1'
_cell_volume   148.47
_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
  Sr  Sr2  1  0.0  0.0  0.28  1.0
  Sr  Sr3  1  0.0  0.0  0.67  1.0
  Sc  Sc0  1  0.0  0.0  0.47  1.0
  Sn  Sn1  1  0.0  0.0  0.21  1.0

data_Sr2ScSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.75
_cell_length_b   3.9
_cell_length_c   11.51
_cell_angle_alpha   90.0
_cell_angle_beta   101.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2ScSn
_chemical_formula_sum   'Sr4 Sc2 Sn2'
_cell_volume   296.95
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.0  0.0  0.33  1.0
  Sr  Sr1  2  0.0  0.0  0.72  1.0
  Sc  Sc2  2  0.0  0.0  0.53  1.0
  Sn  Sn3  2  0.0  0.0  0.79  1.0

Sr Sr Sc Sn
Sr Sr Sc Sn 0 3 o o o 0 2 o o o 1 2 o o o 