data_SrSc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   131.91
_cell_angle_beta   131.91
_cell_angle_gamma   70.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Sn
_chemical_formula_sum   'Sr1 Sc2 Sn1'
_cell_volume   110.01
_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  Sr3  1  0.0  0.0  0.0  1.0
  Sc  Sc0  1  0.39  0.0  0.4  1.0
  Sc  Sc1  1  0.0  0.39  0.4  1.0
  Sn  Sn2  1  0.0  0.0  0.8  1.0

data_SrSc2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   125.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrSc2Sn
_chemical_formula_sum   'Sr2 Sc4 Sn2'
_cell_volume   220.02
_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  0.0  1.0
  Sc  Sc1  4  0.3  0.3  0.99  1.0
  Sn  Sn2  2  0.2  0.0  0.2  1.0

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