data_YNiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   139.28
_cell_angle_beta   123.74
_cell_angle_gamma   71.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiCl2
_chemical_formula_sum   'Y1 Ni1 Cl2'
_cell_volume   75.28
_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  0.0  0.22  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.81  0.0  0.54  1.0
  Cl  Cl1  1  0.0  0.46  0.69  1.0

data_YNiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.91
_cell_length_c   5.21
_cell_angle_alpha   118.13
_cell_angle_beta   110.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiCl2
_chemical_formula_sum   'Y1 Ni1 Cl2'
_cell_volume   75.28
_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  0.0  0.22  0.22  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.54  0.72  1.0
  Cl  Cl3  1  0.54  0.23  0.23  1.0

Y Ni Cl Cl