data_SrSc2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   139.21
_cell_angle_beta   134.46
_cell_angle_gamma   62.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Sn
_chemical_formula_sum   'Sr1 Sc2 Sn1'
_cell_volume   111.19
_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  0.81  1.0
  Sc  Sc0  1  0.17  0.0  0.03  1.0
  Sc  Sc1  1  0.0  0.0  0.94  1.0
  Sn  Sn2  1  0.17  0.0  0.16  1.0

data_SrSc2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.82
_cell_length_c   6.23
_cell_angle_alpha   112.77
_cell_angle_beta   110.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Sn
_chemical_formula_sum   'Sr1 Sc2 Sn1'
_cell_volume   111.19
_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  Sr0  1  0.19  0.19  0.19  1.0
  Sc  Sc1  1  0.06  0.06  0.06  1.0
  Sc  Sc2  1  0.14  0.97  0.14  1.0
  Sn  Sn3  1  0.01  0.84  0.01  1.0

Sr Sc Sc Sn