data_AsC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   128.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsC
_chemical_formula_sum   'As2 C2'
_cell_volume   73.32
_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  0.58  0.57  1.0
  As  As1  1  0.53  0.42  0.98  1.0
  C  C2  1  0.53  0.58  0.93  1.0
  C  C3  1  0.53  0.42  0.62  1.0

data_AsC
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.06
_cell_length_b   3.52
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.8
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AsC
_chemical_formula_sum   'As2 C2'
_cell_volume   73.32
_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  0.08  0.08  0.7  1.0
  C  C1  2  0.08  0.08  0.34  1.0

As As C C
As As C C 0 3 o o o 1 2 o o o 