data_BeC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   2.47
_cell_length_c   11.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeC2
_chemical_formula_sum   'Be4 C8'
_cell_volume   110.22
_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  0.62  0.62  0.33  1.0
  Be  Be1  1  0.26  0.85  0.41  1.0
  Be  Be2  1  0.51  0.62  0.43  1.0
  Be  Be3  1  0.14  0.85  0.51  1.0
  C  C4  1  0.55  0.62  0.45  1.0
  C  C5  1  0.1  0.85  0.38  1.0
  C  C6  1  0.67  0.62  0.47  1.0
  C  C7  1  0.21  0.85  0.39  1.0
  C  C8  1  0.39  0.62  0.34  1.0
  C  C9  1  0.27  0.85  0.41  1.0
  C  C10  1  0.5  0.62  0.43  1.0
  C  C11  1  0.38  0.85  0.51  1.0

data_BeC2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.47
_cell_length_b   3.77
_cell_length_c   11.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BeC2
_chemical_formula_sum   'Be4 C8'
_cell_volume   110.22
_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  0.12  0.26  0.59  1.0
  Be  Be1  2  0.12  0.38  0.49  1.0
  C  C2  2  0.12  0.33  0.47  1.0
  C  C3  2  0.12  0.5  0.59  1.0
  C  C4  2  0.12  0.21  0.45  1.0
  C  C5  2  0.12  0.38  0.49  1.0

Be Be Be Be C C C C C C C C