data_BeBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   3.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2Sb
_chemical_formula_sum   'Be1 Bi2 Sb1'
_cell_volume   104.67
_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
  Bi  Bi1  1  0.73  0.98  0.91  1.0
  Bi  Bi2  1  0.73  0.02  0.91  1.0
  Sb  Sb3  1  0.45  0.0  0.0  1.0

data_BeBi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   97.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi2Sb
_chemical_formula_sum   'Be1 Bi2 Sb1'
_cell_volume   104.67
_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
  Bi  Bi1  1  0.91  0.73  0.02  1.0
  Bi  Bi2  1  0.91  0.73  0.98  1.0
  Sb  Sb3  1  0.0  0.45  0.0  1.0

Be Bi Bi Sb
Be Bi Bi Sb 0 1 - - - 0 2 - o - 1 2 o + o 1 3 o + + 2 3 o o + 