data_BeAlIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   4.47
_cell_angle_alpha   109.62
_cell_angle_beta   109.62
_cell_angle_gamma   26.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlIn2
_chemical_formula_sum   'Be1 Al1 In2'
_cell_volume   80.91
_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  Be1  1  0.31  0.0  0.06  1.0
  Al  Al0  1  0.84  0.0  0.85  1.0
  In  In2  1  0.59  0.0  0.25  1.0
  In  In3  1  0.06  0.0  0.14  1.0

data_BeAlIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.47
_cell_length_c   6.55
_cell_angle_alpha   109.62
_cell_angle_beta   103.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlIn2
_chemical_formula_sum   'Be1 Al1 In2'
_cell_volume   80.91
_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  0.06  0.31  1.0
  Al  Al1  1  0.0  0.85  0.84  1.0
  In  In2  1  0.0  0.14  0.06  1.0
  In  In3  1  0.0  0.25  0.59  1.0

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