data_NaScMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   7.67
_cell_length_c   2.9
_cell_angle_alpha   82.56
_cell_angle_beta   75.91
_cell_angle_gamma   21.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScMn
_chemical_formula_sum   'Na1 Sc1 Mn1'
_cell_volume   59.74
_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
  Na  Na1  1  0.7  0.35  0.76  1.0
  Sc  Sc2  1  0.7  0.35  0.44  1.0
  Mn  Mn0  1  0.7  0.35  0.72  1.0

data_NaScMn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.39
_cell_length_b   14.96
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   125.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaScMn
_chemical_formula_sum   'Na2 Sc2 Mn2'
_cell_volume   119.49
_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
  Na  Na0  2  0.35  0.0  0.55  1.0
  Sc  Sc1  2  0.35  0.0  0.86  1.0
  Mn  Mn2  2  0.35  0.0  0.58  1.0

Na Sc Mn
Na Sc Mn 0 2 o o o 0 1 o o o 1 2 o o o 