data_YZn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   4.42
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Cl
_chemical_formula_sum   'Y1 Zn2 Cl1'
_cell_volume   83.1
_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  Y1  1  0.67  0.21  0.0  1.0
  Zn  Zn2  1  0.67  0.0  0.82  1.0
  Zn  Zn3  1  0.0  0.21  0.82  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_YZn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.42
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Cl
_chemical_formula_sum   'Y1 Zn2 Cl1'
_cell_volume   83.1
_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  0.67  0.21  -0.0  1.0
  Zn  Zn1  1  0.0  0.21  0.82  1.0
  Zn  Zn2  1  0.67  0.0  0.82  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Y Zn Zn Cl
Y Zn Zn Cl 0 1 o o - 0 3 + o o 0 2 + o - 1 3 + o + 1 2 + o o 2 3 o o + 