data_As2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2C
_chemical_formula_sum   'As4 C2'
_cell_volume   90.31
_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  0.53  0.88  0.17  1.0
  As  As1  1  0.0  0.77  0.75  1.0
  As  As2  1  0.0  0.77  0.98  1.0
  As  As3  1  0.53  0.88  0.4  1.0
  C  C4  1  0.53  0.88  0.36  1.0
  C  C5  1  0.0  0.77  0.79  1.0

data_As2C
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   11.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   As2C
_chemical_formula_sum   'As4 C2'
_cell_volume   90.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.26  0.56  0.33  1.0
  As  As1  2  0.26  0.56  0.1  1.0
  C  C2  2  0.26  0.56  0.29  1.0

As As As As C C