data_SrSc2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   28.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Mn
_chemical_formula_sum   'Sr1 Sc2 Mn1'
_cell_volume   111.32
_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  0.43  0.0  0.99  1.0
  Sc  Sc1  1  0.43  0.0  0.77  1.0
  Sc  Sc2  1  0.0  0.0  0.2  1.0
  Mn  Mn0  1  0.0  0.0  0.56  1.0

data_SrSc2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.86
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   104.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2Mn
_chemical_formula_sum   'Sr1 Sc2 Mn1'
_cell_volume   111.32
_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  0.01  0.43  0.01  1.0
  Sc  Sc1  1  0.23  0.43  0.23  1.0
  Sc  Sc2  1  0.8  0.0  0.8  1.0
  Mn  Mn3  1  0.44  0.0  0.44  1.0

Sr Sc Sc Mn