data_YZrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   5.24
_cell_length_c   5.03
_cell_angle_alpha   90.0
_cell_angle_beta   100.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrCl2
_chemical_formula_sum   'Y1 Zr1 Cl2'
_cell_volume   87.61
_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  Y2  1  0.7  0.0  0.68  1.0
  Zr  Zr3  1  0.92  0.62  0.93  1.0
  Cl  Cl0  1  0.16  0.0  0.07  1.0
  Cl  Cl1  1  0.29  0.62  0.75  1.0

data_YZrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.03
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrCl2
_chemical_formula_sum   'Y1 Zr1 Cl2'
_cell_volume   87.61
_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  0.3  0.32  0.0  1.0
  Zr  Zr1  1  0.08  0.07  0.38  1.0
  Cl  Cl2  1  0.71  0.25  0.38  1.0
  Cl  Cl3  1  0.84  0.93  0.0  1.0

Y Zr Cl Cl