data_KScMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.4
_cell_length_b   8.26
_cell_length_c   3.08
_cell_angle_alpha   81.92
_cell_angle_beta   76.77
_cell_angle_gamma   21.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScMn
_chemical_formula_sum   'K1 Sc1 Mn1'
_cell_volume   74.16
_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  0.89  0.44  0.33  1.0
  Sc  Sc2  1  0.89  0.44  0.66  1.0
  Mn  Mn1  1  0.89  0.44  0.09  1.0

data_KScMn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.79
_cell_length_b   16.09
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   127.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KScMn
_chemical_formula_sum   'K2 Sc2 Mn2'
_cell_volume   148.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.39  0.5  0.22  1.0
  Sc  Sc1  2  0.39  0.5  0.56  1.0
  Mn  Mn2  2  0.39  0.5  0.98  1.0

K Sc Mn