data_BeC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   2.51
_cell_length_c   3.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeC
_chemical_formula_sum   'Be4 C4'
_cell_volume   51.54
_cell_formula_units_Z   4
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  0.89  0.89  0.16  1.0
  Be  Be1  1  0.03  0.63  0.41  1.0
  Be  Be2  1  0.8  0.89  0.11  1.0
  Be  Be3  1  0.94  0.63  0.35  1.0
  C  C4  1  0.33  0.89  0.41  1.0
  C  C5  1  0.58  0.63  0.17  1.0
  C  C6  1  0.25  0.89  0.35  1.0
  C  C7  1  0.5  0.63  0.11  1.0

data_BeC
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.51
_cell_length_b   3.52
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeC
_chemical_formula_sum   'Be4 C4'
_cell_volume   51.54
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.37  0.15  0.61  1.0
  Be  Be1  2  0.37  0.09  0.53  1.0
  C  C2  2  0.37  0.91  0.17  1.0
  C  C3  2  0.37  0.85  0.08  1.0

Be Be Be Be C C C C
Be Be Be Be C C C C 0 2 o o o 1 3 - o o 4 6 o o o 5 7 o o o 