data_BeB5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   6.94
_cell_angle_alpha   127.81
_cell_angle_beta   127.81
_cell_angle_gamma   22.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeB5
_chemical_formula_sum   'Be1 B5'
_cell_volume   43.57
_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  Be5  1  0.86  0.0  0.16  1.0
  B  B0  1  0.35  0.0  0.95  1.0
  B  B1  1  0.65  0.0  0.92  1.0
  B  B2  1  0.86  0.0  0.51  1.0
  B  B3  1  0.1  0.0  0.18  1.0
  B  B4  1  0.89  0.0  0.23  1.0

data_BeB5
_symmetry_space_group_name_H-M   P1
_cell_length_a   1.79
_cell_length_b   4.57
_cell_length_c   5.49
_cell_angle_alpha   86.65
_cell_angle_beta   80.59
_cell_angle_gamma   78.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeB5
_chemical_formula_sum   'Be1 B5'
_cell_volume   43.57
_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  0.7  0.16  1.0
  B  B1  1  0.0  0.35  0.51  1.0
  B  B2  1  0.0  0.4  0.95  1.0
  B  B3  1  0.0  0.66  0.23  1.0
  B  B4  1  0.0  0.73  0.92  1.0
  B  B5  1  0.0  0.92  0.18  1.0

Be B B B B B