data_ScMn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   135.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2O5
_chemical_formula_sum   'Sc2 Mn4 O10'
_cell_volume   192.75
_cell_formula_units_Z   2
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
  Sc  Sc0  1  1.0  0.11  0.42  1.0
  Sc  Sc1  1  1.0  0.89  0.47  1.0
  Mn  Mn2  1  1.0  0.47  0.55  1.0
  Mn  Mn3  1  1.0  0.47  0.39  1.0
  Mn  Mn4  1  1.0  0.53  0.5  1.0
  Mn  Mn5  1  1.0  0.53  0.34  1.0
  O  O6  1  1.0  0.58  0.08  1.0
  O  O7  1  1.0  0.58  0.75  1.0
  O  O8  1  1.0  0.17  0.35  1.0
  O  O9  1  1.0  0.17  0.48  1.0
  O  O10  1  1.0  0.74  0.42  1.0
  O  O11  1  1.0  0.42  0.14  1.0
  O  O12  1  1.0  0.83  0.54  1.0
  O  O13  1  1.0  0.26  0.47  1.0
  O  O14  1  1.0  0.42  0.81  1.0
  O  O15  1  1.0  0.83  0.41  1.0

data_ScMn2O5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.99
_cell_length_b   5.27
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.23
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ScMn2O5
_chemical_formula_sum   'Sc2 Mn4 O10'
_cell_volume   192.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Sc  Sc0  2  0.11  0.61  0.03  1.0
  Mn  Mn1  2  0.47  0.97  0.05  1.0
  Mn  Mn2  2  0.47  0.97  0.89  1.0
  O  O3  2  0.17  0.67  0.09  1.0
  O  O4  2  0.17  0.67  0.96  1.0
  O  O5  2  0.26  0.76  0.97  1.0
  O  O6  2  0.42  0.92  0.31  1.0
  O  O7  2  0.42  0.92  0.64  1.0

Sc Sc Mn Mn Mn Mn O O O O O O O O O O