data_YSiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   147.24
_cell_angle_beta   135.87
_cell_angle_gamma   56.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSiCl2
_chemical_formula_sum   'Y1 Si1 Cl2'
_cell_volume   88.47
_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  0.0  0.32  0.96  1.0
  Si  Si2  1  0.0  0.0  0.76  1.0
  Cl  Cl0  1  0.0  0.0  0.55  1.0
  Cl  Cl1  1  0.74  0.0  0.56  1.0

data_YSiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.65
_cell_length_c   6.18
_cell_angle_alpha   112.06
_cell_angle_beta   106.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSiCl2
_chemical_formula_sum   'Y1 Si1 Cl2'
_cell_volume   88.47
_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  Y0  1  0.68  0.64  0.64  1.0
  Si  Si1  1  0.0  0.76  0.76  1.0
  Cl  Cl2  1  0.0  0.55  0.55  1.0
  Cl  Cl3  1  0.0  0.56  0.82  1.0

Y Si Cl Cl
Y Si Cl Cl 0 2 o o o 0 1 o o o 1 3 - o o 1 2 o o o 