data_SrSc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc3
_chemical_formula_sum   'Sr1 Sc3'
_cell_volume   116.15
_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  0.55  1.0
  Sc  Sc0  1  1.0  0.01  0.63  1.0
  Sc  Sc1  1  1.0  0.01  0.47  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0

data_SrSc3
_symmetry_space_group_name_H-M   P6mm
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   183
_chemical_formula_structural   SrSc3
_chemical_formula_sum   'Sr1 Sc3'
_cell_volume   116.15
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x-y, x, z'
  3  '-y, x-y, z'
  4  '-x, -y, z'
  5  '-x+y, -x, z'
  6  'y, -x+y, z'
  7  'y, x, z'
  8  'x, x-y, z'
  9  'x-y, -y, z'
  10  '-y, -x, z'
  11  '-x, -x+y, z'
  12  '-x+y, 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  0.0  0.0  0.55  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.0  0.0  0.47  1.0
  Sc  Sc3  1  0.0  0.0  0.63  1.0

Sr Sc Sc Sc