data_K2ScMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.98
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   99.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ScMn
_chemical_formula_sum   'K2 Sc1 Mn1'
_cell_volume   142.58
_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
  K  K0  1  0.14  0.99  0.24  1.0
  K  K1  1  0.53  0.0  0.03  1.0
  Sc  Sc3  1  0.73  0.0  0.35  1.0
  Mn  Mn2  1  0.6  0.99  0.81  1.0

data_K2ScMn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.66
_cell_length_b   3.98
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   99.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2ScMn
_chemical_formula_sum   'K2 Sc1 Mn1'
_cell_volume   142.58
_cell_formula_units_Z   1
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
  K  K0  1  0.14  0.0  0.24  1.0
  K  K1  1  0.53  0.0  0.03  1.0
  Sc  Sc2  1  0.73  0.0  0.35  1.0
  Mn  Mn3  1  0.6  0.0  0.81  1.0

K K Sc Mn