data_ScMn2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.06
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   102.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Al
_chemical_formula_sum   'Sc1 Mn2 Al1'
_cell_volume   59.72
_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
  Sc  Sc3  1  0.12  0.03  0.47  1.0
  Mn  Mn1  1  0.08  0.03  0.17  1.0
  Mn  Mn2  1  0.79  0.0  0.23  1.0
  Al  Al0  1  0.68  0.0  0.14  1.0

data_ScMn2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.06
_cell_length_c   5.34
_cell_angle_alpha   90.0
_cell_angle_beta   102.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMn2Al
_chemical_formula_sum   'Sc1 Mn2 Al1'
_cell_volume   59.72
_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
  Sc  Sc0  1  0.12  0.03  0.47  1.0
  Mn  Mn1  1  0.08  0.03  0.17  1.0
  Mn  Mn2  1  0.79  0.0  0.23  1.0
  Al  Al3  1  0.68  0.0  0.14  1.0

Sc Mn Mn Al