data_AsCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   125.32
_cell_angle_beta   125.32
_cell_angle_gamma   81.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsCl3
_chemical_formula_sum   'As1 Cl3'
_cell_volume   77.68
_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  0.76  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.27  0.0  0.88  1.0
  Cl  Cl3  1  0.0  0.27  0.88  1.0

data_AsCl3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   130.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsCl3
_chemical_formula_sum   'As2 Cl6'
_cell_volume   155.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.76  1.0
  Cl  Cl1  4  0.36  0.36  0.61  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

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