data_Sc2BeAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   34.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeAl
_chemical_formula_sum   'Sc2 Be1 Al1'
_cell_volume   74.43
_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  Sc2  1  0.06  0.0  0.71  1.0
  Sc  Sc3  1  0.0  0.0  0.31  1.0
  Be  Be1  1  0.0  0.0  0.36  1.0
  Al  Al0  1  0.06  0.0  0.01  1.0

data_Sc2BeAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.12
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   107.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeAl
_chemical_formula_sum   'Sc2 Be1 Al1'
_cell_volume   74.43
_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  0.29  0.06  0.29  1.0
  Sc  Sc1  1  0.69  0.0  0.69  1.0
  Be  Be2  1  0.64  0.0  0.64  1.0
  Al  Al3  1  0.99  0.06  0.99  1.0

Sc Sc Be Al