data_NaYCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.39
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYCl2
_chemical_formula_sum   'Na1 Y1 Cl2'
_cell_volume   98.17
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.75  0.0  0.97  1.0
  Cl  Cl0  1  0.73  0.7  0.27  1.0
  Cl  Cl1  1  0.77  0.7  0.68  1.0

data_NaYCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.64
_cell_length_c   7.95
_cell_angle_alpha   90.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYCl2
_chemical_formula_sum   'Na1 Y1 Cl2'
_cell_volume   98.17
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.25  0.03  1.0
  Cl  Cl2  1  0.3  0.23  0.32  1.0
  Cl  Cl3  1  0.3  0.27  0.73  1.0

Na Y Cl Cl