data_As2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2C
_chemical_formula_sum   'As4 C2'
_cell_volume   119.99
_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
  As  As0  1  0.23  0.23  0.0  1.0
  As  As1  1  0.22  0.22  0.0  1.0
  As  As2  1  0.99  0.46  0.44  1.0
  As  As3  1  0.46  0.99  0.44  1.0
  C  C4  1  0.0  0.0  0.0  1.0
  C  C5  1  0.22  0.22  0.44  1.0

data_As2C
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.12
_cell_length_b   9.12
_cell_length_c   2.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   As2C
_chemical_formula_sum   'As8 C4'
_cell_volume   239.98
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  As  As0  4  0.22  0.23  0.44  1.0
  As  As1  2  0.22  0.0  0.0  1.0
  As  As2  2  0.23  0.0  0.0  1.0
  C  C3  2  0.0  0.0  0.0  1.0
  C  C4  2  0.22  0.0  0.44  1.0

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