data_BeAl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2In
_chemical_formula_sum   'Be1 Al2 In1'
_cell_volume   69.84
_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
  Be  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.37  0.95  0.55  1.0
  Al  Al1  1  0.37  0.05  0.55  1.0
  In  In3  1  0.75  0.0  0.0  1.0

data_BeAl2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   112.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2In
_chemical_formula_sum   'Be1 Al2 In1'
_cell_volume   69.84
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.55  0.37  0.95  1.0
  Al  Al2  1  0.55  0.37  0.05  1.0
  In  In3  1  -0.0  0.75  0.0  1.0

Be Al Al In
Be Al Al In 0 3 - o o 1 2 o + o 