data_YC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   128.56
_cell_angle_beta   108.2
_cell_angle_gamma   93.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YC3
_chemical_formula_sum   'Y1 C3'
_cell_volume   56.29
_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
  Y  Y3  1  0.0  0.54  0.0  1.0
  C  C0  1  0.0  0.0  0.6  1.0
  C  C1  1  0.0  0.0  0.32  1.0
  C  C2  1  0.0  0.0  0.0  1.0

data_YC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   71.8
_cell_angle_beta   64.28
_cell_angle_gamma   64.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YC3
_chemical_formula_sum   'Y1 C3'
_cell_volume   56.29
_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
  Y  Y0  1  0.54  0.0  0.46  1.0
  C  C1  1  -0.0  0.0  0.32  1.0
  C  C2  1  -0.0  0.0  0.6  1.0
  C  C3  1  0.0  0.0  0.0  1.0

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