data_SrSc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   6.79
_cell_length_c   6.79
_cell_angle_alpha   40.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Cl
_chemical_formula_sum   'Sr1 Sc2 Cl1'
_cell_volume   106.37
_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  0.78  0.0  0.37  1.0
  Sc  Sc1  1  0.78  0.0  0.12  1.0
  Sc  Sc2  1  0.0  0.0  0.37  1.0
  Cl  Cl0  1  0.0  0.0  0.58  1.0

data_SrSc2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.69
_cell_length_c   6.79
_cell_angle_alpha   110.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Cl
_chemical_formula_sum   'Sr1 Sc2 Cl1'
_cell_volume   106.37
_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  0.22  0.37  0.37  1.0
  Sc  Sc1  1  0.0  0.37  0.37  1.0
  Sc  Sc2  1  0.22  0.12  0.12  1.0
  Cl  Cl3  1  0.0  0.58  0.58  1.0

Sr Sc Sc Cl