data_Zn3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.5
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   109.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3C
_chemical_formula_sum   'Zn3 C1'
_cell_volume   54.81
_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  Zn1  1  0.99  0.75  0.78  1.0
  Zn  Zn2  1  0.3  0.0  0.96  1.0
  Zn  Zn3  1  0.6  0.75  0.14  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Zn3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.99
_cell_length_c   4.17
_cell_angle_alpha   109.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3C
_chemical_formula_sum   'Zn3 C1'
_cell_volume   54.81
_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  0.7  0.04  1.0
  Zn  Zn1  1  0.25  0.01  0.22  1.0
  Zn  Zn2  1  0.25  0.4  0.86  1.0
  C  C3  1  0.0  0.0  0.0  1.0

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