data_NaSc2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.99
_cell_angle_alpha   99.64
_cell_angle_beta   99.64
_cell_angle_gamma   35.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSc2Mn
_chemical_formula_sum   'Na1 Sc2 Mn1'
_cell_volume   91.14
_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  0.0  0.0  0.0  1.0
  Sc  Sc2  1  0.54  0.0  0.19  1.0
  Sc  Sc3  1  0.3  0.0  0.71  1.0
  Mn  Mn0  1  0.42  0.0  0.95  1.0

data_NaSc2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.18
_cell_length_c   5.99
_cell_angle_alpha   99.64
_cell_angle_beta   90.0
_cell_angle_gamma   107.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSc2Mn
_chemical_formula_sum   'Na1 Sc2 Mn1'
_cell_volume   91.14
_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  Na0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.0  0.46  0.81  1.0
  Sc  Sc2  1  0.0  0.7  0.29  1.0
  Mn  Mn3  1  0.0  0.58  0.05  1.0

Na Sc Sc Mn
Na Sc Sc Mn 0 1 - o o 0 1 o o o 0 3 o o - 0 2 o o - 1 3 o o - 2 3 o o o 