data_As5Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   8.76
_cell_angle_alpha   94.85
_cell_angle_beta   94.85
_cell_angle_gamma   42.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As5Cl
_chemical_formula_sum   'As5 Cl1'
_cell_volume   144.61
_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
  As  As0  1  0.68  0.0  0.33  1.0
  As  As1  1  0.57  0.0  0.35  1.0
  As  As2  1  0.03  0.0  0.72  1.0
  As  As3  1  0.49  0.0  0.0  1.0
  As  As4  1  0.31  0.0  0.1  1.0
  Cl  Cl5  1  0.76  0.0  0.22  1.0

data_As5Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.94
_cell_length_c   8.76
_cell_angle_alpha   94.85
_cell_angle_beta   90.0
_cell_angle_gamma   111.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As5Cl
_chemical_formula_sum   'As5 Cl1'
_cell_volume   144.61
_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
  As  As0  1  0.0  0.32  0.67  1.0
  As  As1  1  0.0  0.43  0.65  1.0
  As  As2  1  0.0  0.51  1.0  1.0
  As  As3  1  0.0  0.69  0.9  1.0
  As  As4  1  0.0  0.97  0.28  1.0
  Cl  Cl5  1  0.0  0.24  0.78  1.0

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