data_BeC5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   3.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeC5
_chemical_formula_sum   'Be1 C5'
_cell_volume   45.86
_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
  C  C1  1  0.96  0.0  0.84  1.0
  C  C2  1  0.42  0.72  0.84  1.0
  C  C3  1  0.52  0.56  0.84  1.0
  C  C4  1  0.9  0.09  0.0  1.0
  C  C5  1  0.0  0.19  0.0  1.0

data_BeC5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.79
_cell_length_c   3.79
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeC5
_chemical_formula_sum   'Be1 C5'
_cell_volume   45.86
_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
  C  C1  1  -0.0  0.9  0.09  1.0
  C  C2  1  -0.0  0.0  0.19  1.0
  C  C3  1  0.84  0.42  0.72  1.0
  C  C4  1  0.84  0.52  0.56  1.0
  C  C5  1  0.84  0.96  0.0  1.0

Be C C C C C
Be C C C C C 0 1 - o - 0 5 o o o 0 4 - o o 2 3 o o o 4 5 + o o 