data_SrSc2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   128.95
_cell_angle_beta   128.95
_cell_angle_gamma   75.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Mn
_chemical_formula_sum   'Sr1 Sc2 Mn1'
_cell_volume   104.32
_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  0.42  0.0  0.23  1.0
  Sc  Sc1  1  0.0  0.42  0.23  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.0  0.0  0.45  1.0

data_SrSc2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.62
_cell_angle_alpha   115.52
_cell_angle_beta   115.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Mn
_chemical_formula_sum   'Sr1 Sc2 Mn1'
_cell_volume   104.32
_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  0.77  0.0  0.19  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.19  0.42  0.19  1.0
  Mn  Mn3  1  0.55  0.0  0.55  1.0

Sr Sc Sc Mn
Sr Sc Sc Mn 0 2 o o o 0 3 + o o 1 2 o o o 1 3 o + o 2 3 o o o 2 3 o o - 