data_BeC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   3.15
_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   'Be2 C4'
_cell_volume   49.15
_cell_formula_units_Z   2
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  0.12  0.22  0.37  1.0
  Be  Be1  1  0.0  0.45  0.79  1.0
  C  C2  1  0.0  0.0  0.58  1.0
  C  C3  1  0.0  0.0  0.0  1.0
  C  C4  1  0.12  0.22  0.79  1.0
  C  C5  1  0.0  0.45  0.37  1.0

data_BeC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeC2
_chemical_formula_sum   'Be2 C4'
_cell_volume   49.15
_cell_formula_units_Z   2
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  0.37  0.12  0.22  1.0
  Be  Be1  1  0.79  0.0  0.45  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.37  0.0  0.45  1.0
  C  C4  1  0.58  0.0  0.0  1.0
  C  C5  1  0.79  0.12  0.22  1.0

Be Be C C C C