data_MgSc2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   146.56
_cell_angle_beta   130.33
_cell_angle_gamma   61.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2Al
_chemical_formula_sum   'Mg1 Sc2 Al1'
_cell_volume   85.76
_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
  Mg  Mg1  1  0.0  0.0  0.43  1.0
  Sc  Sc2  1  0.0  0.48  0.06  1.0
  Sc  Sc3  1  0.0  0.0  0.67  1.0
  Al  Al0  1  0.0  0.48  0.09  1.0

data_MgSc2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.96
_cell_length_c   5.91
_cell_angle_alpha   114.84
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2Al
_chemical_formula_sum   'Mg1 Sc2 Al1'
_cell_volume   85.76
_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
  Mg  Mg0  1  0.57  0.57  0.57  1.0
  Sc  Sc1  1  0.33  0.33  0.33  1.0
  Sc  Sc2  1  0.94  0.42  0.42  1.0
  Al  Al3  1  0.91  0.39  0.39  1.0

Mg Sc Sc Al