data_YC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YC2
_chemical_formula_sum   'Y2 C4'
_cell_volume   95.56
_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
  Y  Y4  1  0.0  0.08  0.12  1.0
  Y  Y5  1  0.8  0.04  0.35  1.0
  C  C0  1  0.0  0.0  0.59  1.0
  C  C1  1  0.0  0.0  0.83  1.0
  C  C2  1  0.0  0.0  0.88  1.0
  C  C3  1  0.0  0.0  0.64  1.0

data_YC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YC2
_chemical_formula_sum   'Y2 C4'
_cell_volume   95.56
_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
  Y  Y0  1  0.0  0.08  0.12  1.0
  Y  Y1  1  0.8  0.04  0.35  1.0
  C  C2  1  0.0  0.0  0.59  1.0
  C  C3  1  0.0  0.0  0.64  1.0
  C  C4  1  0.0  0.0  0.83  1.0
  C  C5  1  0.0  0.0  0.88  1.0

Y Y C C C C
Y Y C C C C 0 1 - o o 0 4 o o - 0 3 o o - 1 2 + o o 2 5 o o o 3 4 o o o 