data_BeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.27
_cell_length_b   13.27
_cell_length_c   13.27
_cell_angle_alpha   164.9
_cell_angle_beta   164.9
_cell_angle_gamma   21.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2
_chemical_formula_sum   'Be2 Bi4'
_cell_volume   158.51
_cell_formula_units_Z   2
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  0.74  0.52  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.74  0.0  0.09  1.0
  Bi  Bi3  1  0.0  0.0  0.46  1.0
  Bi  Bi4  1  0.74  0.0  0.95  1.0
  Bi  Bi5  1  0.0  0.0  0.61  1.0

data_BeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.49
_cell_length_c   13.27
_cell_angle_alpha   97.55
_cell_angle_beta   97.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2
_chemical_formula_sum   'Be2 Bi4'
_cell_volume   158.51
_cell_formula_units_Z   2
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
  Be  Be1  1  0.77  0.52  0.77  1.0
  Bi  Bi2  1  0.09  0.35  0.35  1.0
  Bi  Bi3  1  0.46  0.46  0.46  1.0
  Bi  Bi4  1  0.61  0.61  0.61  1.0
  Bi  Bi5  1  0.95  0.2  0.2  1.0

Be Be Bi Bi Bi Bi