data_SrScSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   7.12
_cell_angle_alpha   146.61
_cell_angle_beta   146.61
_cell_angle_gamma   47.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScSe2
_chemical_formula_sum   'Sr1 Sc1 Se2'
_cell_volume   108.84
_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  0.05  0.25  1.0
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.05  0.0  0.25  1.0
  Se  Se2  1  0.0  0.0  0.51  1.0

data_SrScSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   7.12
_cell_angle_alpha   106.69
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrScSe2
_chemical_formula_sum   'Sr1 Sc1 Se2'
_cell_volume   108.84
_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  0.79  0.05  0.79  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.49  0.0  0.49  1.0
  Se  Se3  1  0.75  0.0  0.79  1.0

Sr Sc Se Se