data_YAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAsCl2
_chemical_formula_sum   'Y1 As1 Cl2'
_cell_volume   128.54
_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
  Y  Y3  1  0.09  0.09  0.63  1.0
  As  As0  1  0.0  0.0  0.52  1.0
  Cl  Cl1  1  0.09  0.09  0.05  1.0
  Cl  Cl2  1  0.0  0.0  0.22  1.0

data_YAsCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YAsCl2
_chemical_formula_sum   'Y2 As2 Cl4'
_cell_volume   257.09
_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
  Y  Y0  2  0.09  0.0  0.63  1.0
  As  As1  2  0.0  0.0  0.52  1.0
  Cl  Cl2  2  0.0  0.0  0.22  1.0
  Cl  Cl3  2  0.09  0.0  0.05  1.0

Y As Cl Cl
Y As Cl Cl 0 1 o o o 2 3 o o o 