data_BeC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeC2
_chemical_formula_sum   'Be8 C16'
_cell_volume   216.91
_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  0.0  0.0  0.82  1.0
  Be  Be1  1  0.0  0.0  0.33  1.0
  Be  Be2  1  0.0  0.0  0.24  1.0
  Be  Be3  1  0.0  0.0  0.91  1.0
  Be  Be4  1  0.0  0.74  0.85  1.0
  Be  Be5  1  0.37  0.37  0.3  1.0
  Be  Be6  1  0.37  0.37  0.43  1.0
  Be  Be7  1  0.0  0.74  0.73  1.0
  C  C8  1  0.0  0.74  0.66  1.0
  C  C9  1  0.37  0.37  0.49  1.0
  C  C10  1  0.37  0.37  0.09  1.0
  C  C11  1  0.0  0.74  0.06  1.0
  C  C12  1  0.18  0.05  0.58  1.0
  C  C13  1  0.37  0.0  0.58  1.0
  C  C14  1  0.82  0.05  0.58  1.0
  C  C15  1  0.18  0.05  0.0  1.0
  C  C16  1  0.37  0.0  0.0  1.0
  C  C17  1  0.82  0.05  0.0  1.0
  C  C18  1  0.47  0.62  0.36  1.0
  C  C19  1  0.0  0.97  0.36  1.0
  C  C20  1  0.53  0.62  0.36  1.0
  C  C21  1  0.9  0.48  0.79  1.0
  C  C22  1  0.37  0.14  0.79  1.0
  C  C23  1  0.84  0.48  0.79  1.0

data_BeC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeC2
_chemical_formula_sum   'Be8 C16'
_cell_volume   216.91
_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  0.0  0.0  0.24  1.0
  Be  Be1  1  0.0  0.0  0.33  1.0
  Be  Be2  1  0.0  0.0  0.82  1.0
  Be  Be3  1  0.0  0.0  0.91  1.0
  Be  Be4  1  0.0  0.74  0.73  1.0
  Be  Be5  1  0.0  0.74  0.85  1.0
  Be  Be6  1  0.37  0.37  0.3  1.0
  Be  Be7  1  0.37  0.37  0.43  1.0
  C  C8  1  0.0  0.74  0.06  1.0
  C  C9  1  0.0  0.74  0.66  1.0
  C  C10  1  0.0  0.97  0.36  1.0
  C  C11  1  0.18  0.05  -0.0  1.0
  C  C12  1  0.18  0.05  0.58  1.0
  C  C13  1  0.37  0.0  -0.0  1.0
  C  C14  1  0.37  0.0  0.58  1.0
  C  C15  1  0.37  0.14  0.79  1.0
  C  C16  1  0.37  0.37  0.09  1.0
  C  C17  1  0.37  0.37  0.49  1.0
  C  C18  1  0.47  0.62  0.36  1.0
  C  C19  1  0.53  0.62  0.36  1.0
  C  C20  1  0.82  0.05  -0.0  1.0
  C  C21  1  0.82  0.05  0.58  1.0
  C  C22  1  0.84  0.48  0.79  1.0
  C  C23  1  0.9  0.48  0.79  1.0

Be Be Be Be Be Be Be Be C C C C C C C C C C C C C C C C
Be Be Be Be Be Be Be Be C C C C C C C C C C C C C C C C 0 3 o o o 0 4 o - o 0 22 o o o 1 19 o - o 1 2 o o o 3 4 o - o 3 17 - o + 3 22 o o o 4 23 - o o 4 21 - o o 4 7 o o o 4 22 o + o 5 18 o o o 5 20 o o o 5 6 o o o 6 9 o o o 7 8 o o o 7 22 o + o 10 15 o o o 11 16 o + o 11 15 o + o 12 13 o o o 12 14 - o o 13 14 o o o 15 16 o o o 15 17 - o o 18 20 o o o 21 23 o o o 22 23 o o o 