data_As2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.76
_cell_length_b   11.76
_cell_length_c   11.76
_cell_angle_alpha   165.36
_cell_angle_beta   165.36
_cell_angle_gamma   20.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2C
_chemical_formula_sum   'As4 C2'
_cell_volume   103.81
_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  0.5  0.0  0.99  1.0
  As  As1  1  0.0  0.0  0.36  1.0
  As  As2  1  0.5  0.0  0.58  1.0
  As  As3  1  0.0  0.0  0.77  1.0
  C  C4  1  0.0  0.5  0.78  1.0
  C  C5  1  0.0  0.0  0.0  1.0

data_As2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   11.76
_cell_angle_alpha   97.32
_cell_angle_beta   97.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2C
_chemical_formula_sum   'As4 C2'
_cell_volume   103.81
_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  0.36  0.36  0.36  1.0
  As  As1  1  0.58  0.08  0.08  1.0
  As  As2  1  0.77  0.77  0.77  1.0
  As  As3  1  0.99  0.49  0.49  1.0
  C  C4  1  0.0  0.0  0.0  1.0
  C  C5  1  0.28  0.78  0.28  1.0

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