data_Be2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   8.59
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Bi
_chemical_formula_sum   'Be16 Bi8'
_cell_volume   448.11
_cell_formula_units_Z   8
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  0.52  0.56  0.56  1.0
  Be  Be1  1  0.56  0.52  0.56  1.0
  Be  Be2  1  0.52  0.52  0.52  1.0
  Be  Be3  1  0.56  0.56  0.52  1.0
  Be  Be4  1  0.04  0.04  0.62  1.0
  Be  Be5  1  0.45  0.04  0.04  1.0
  Be  Be6  1  0.04  0.45  0.04  1.0
  Be  Be7  1  0.04  0.62  0.04  1.0
  Be  Be8  1  0.62  0.04  0.04  1.0
  Be  Be9  1  0.04  0.04  0.45  1.0
  Be  Be10  1  0.07  0.07  0.56  1.0
  Be  Be11  1  0.58  0.07  0.07  1.0
  Be  Be12  1  0.07  0.58  0.07  1.0
  Be  Be13  1  0.07  0.56  0.07  1.0
  Be  Be14  1  0.56  0.07  0.07  1.0
  Be  Be15  1  0.07  0.07  0.58  1.0
  Bi  Bi16  1  0.37  0.37  0.77  1.0
  Bi  Bi17  1  0.77  0.77  0.77  1.0
  Bi  Bi18  1  0.37  0.77  0.37  1.0
  Bi  Bi19  1  0.77  0.37  0.37  1.0
  Bi  Bi20  1  0.81  0.81  0.41  1.0
  Bi  Bi21  1  0.41  0.41  0.41  1.0
  Bi  Bi22  1  0.81  0.41  0.81  1.0
  Bi  Bi23  1  0.41  0.81  0.81  1.0

data_Be2Bi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   21.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Be2Bi
_chemical_formula_sum   'Be48 Bi24'
_cell_volume   1344.34
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.01  0.5  0.43  1.0
  Be  Be1  9  0.02  0.01  0.46  1.0
  Be  Be2  9  0.06  0.53  0.49  1.0
  Be  Be3  9  0.17  0.34  0.76  1.0
  Be  Be4  9  0.19  0.39  0.77  1.0
  Be  Be5  3  0.0  0.0  0.48  1.0
  Bi  Bi6  9  0.07  0.53  0.16  1.0
  Bi  Bi7  9  0.2  0.4  0.99  1.0
  Bi  Bi8  3  0.0  0.0  0.23  1.0
  Bi  Bi9  3  0.0  0.0  0.59  1.0

Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Be Bi Bi Bi Bi Bi Bi Bi Bi