data_Be2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2C3
_chemical_formula_sum   'Be2 C3'
_cell_volume   35.22
_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  0.61  0.93  0.68  1.0
  Be  Be1  1  0.0  0.85  0.26  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.61  0.93  0.25  1.0
  C  C4  1  0.0  0.85  0.69  1.0

data_Be2C3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2C3
_chemical_formula_sum   'Be2 C3'
_cell_volume   35.22
_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  0.85  0.26  1.0
  Be  Be1  1  0.61  0.93  0.68  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.0  0.85  0.69  1.0
  C  C4  1  0.61  0.93  0.25  1.0

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