data_Zn2C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2C3
_chemical_formula_sum   'Zn2 C3'
_cell_volume   46.3
_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
  Zn  Zn3  1  0.38  0.8  0.32  1.0
  Zn  Zn4  1  0.0  0.59  0.72  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.38  0.8  0.35  1.0
  C  C2  1  0.0  0.59  0.69  1.0

data_Zn2C3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2C3
_chemical_formula_sum   'Zn2 C3'
_cell_volume   46.3
_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
  Zn  Zn0  1  -0.0  0.59  0.72  1.0
  Zn  Zn1  1  0.38  0.8  0.32  1.0
  C  C2  1  -0.0  0.59  0.69  1.0
  C  C3  1  0.0  0.0  0.0  1.0
  C  C4  1  0.38  0.8  0.35  1.0

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