data_AsCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   93.2
_cell_angle_beta   93.2
_cell_angle_gamma   152.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsCl4
_chemical_formula_sum   'As1 Cl4'
_cell_volume   160.34
_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  0.0  0.0  1.0
  Cl  Cl1  1  0.36  0.87  0.0  1.0
  Cl  Cl2  1  0.87  0.41  0.0  1.0
  Cl  Cl3  1  0.52  0.02  0.68  1.0
  Cl  Cl4  1  0.02  0.48  0.68  1.0

data_AsCl4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   86.8
_cell_angle_beta   76.34
_cell_angle_gamma   76.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsCl4
_chemical_formula_sum   'As1 Cl4'
_cell_volume   160.34
_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  0.0  0.0  1.0
  Cl  Cl1  1  0.02  0.51  0.32  1.0
  Cl  Cl2  1  0.41  0.46  0.0  1.0
  Cl  Cl3  1  0.48  0.54  0.32  1.0
  Cl  Cl4  1  0.87  0.49  0.0  1.0

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