data_Be5Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   4.18
_cell_angle_alpha   109.35
_cell_angle_beta   109.35
_cell_angle_gamma   34.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be5Bi
_chemical_formula_sum   'Be5 Bi1'
_cell_volume   84.05
_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  0.66  0.0  0.09  1.0
  Be  Be1  1  0.35  0.0  0.39  1.0
  Be  Be2  1  0.57  0.0  0.98  1.0
  Be  Be3  1  0.49  0.0  0.73  1.0
  Be  Be4  1  0.93  0.0  0.01  1.0
  Bi  Bi5  1  0.21  0.0  0.92  1.0

data_Be5Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.18
_cell_length_c   6.19
_cell_angle_alpha   109.35
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be5Bi
_chemical_formula_sum   'Be5 Bi1'
_cell_volume   84.05
_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  0.01  0.93  1.0
  Be  Be1  1  0.0  0.09  0.66  1.0
  Be  Be2  1  0.0  0.39  0.35  1.0
  Be  Be3  1  0.0  0.73  0.49  1.0
  Be  Be4  1  0.0  0.98  0.57  1.0
  Bi  Bi5  1  0.0  0.92  0.21  1.0

Be Be Be Be Be Bi