data_BeBi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.76
_cell_length_b   7.76
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   148.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi5
_chemical_formula_sum   'Be1 Bi5'
_cell_volume   194.82
_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  0.12  0.6  0.0  1.0
  Bi  Bi2  1  0.12  0.4  0.0  1.0
  Bi  Bi3  1  0.12  0.51  0.08  1.0
  Bi  Bi4  1  0.12  0.49  0.08  1.0
  Bi  Bi5  1  0.0  0.0  0.08  1.0

data_BeBi5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   6.16
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeBi5
_chemical_formula_sum   'Be1 Bi5'
_cell_volume   194.82
_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  0.0  0.92  0.0  1.0
  Bi  Bi2  1  0.4  0.0  0.29  1.0
  Bi  Bi3  1  0.49  0.92  0.38  1.0
  Bi  Bi4  1  0.51  0.92  0.39  1.0
  Bi  Bi5  1  0.6  0.0  0.48  1.0

Be Bi Bi Bi Bi Bi
Be Bi Bi Bi Bi Bi 0 5 o o o 1 4 o o o 1 3 o o o 2 4 o o o 2 3 o o o 3 4 o o o 