data_AsCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   7.27
_cell_length_c   28.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsCl5
_chemical_formula_sum   'As1 Cl5'
_cell_volume   1293.84
_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  0.82  0.0  0.14  1.0
  Cl  Cl1  1  0.82  0.0  0.06  1.0
  Cl  Cl2  1  0.65  0.74  0.14  1.0
  Cl  Cl3  1  0.65  0.26  0.14  1.0
  Cl  Cl4  1  0.17  0.0  0.14  1.0
  Cl  Cl5  1  0.82  0.0  0.22  1.0

As Cl Cl Cl Cl Cl 0 2 o - o 0 1 o o o 0 5 o o o 0 3 o o o 0 4 + o o 
data_AsCl5
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   7.27
_cell_length_b   28.06
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   AsCl5
_chemical_formula_sum   'As1 Cl5'
_cell_volume   1293.84
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.0  0.82  1.0
  Cl  Cl1  2  0.0  0.08  0.82  1.0
  Cl  Cl2  2  0.26  0.0  0.65  1.0
  Cl  Cl3  1  0.0  0.0  0.17  1.0
