data_YNiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   4.45
_cell_angle_alpha   90.57
_cell_angle_beta   90.57
_cell_angle_gamma   33.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiCl2
_chemical_formula_sum   'Y1 Ni1 Cl2'
_cell_volume   94.59
_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  0.93  0.0  0.22  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.79  0.0  0.31  1.0
  Cl  Cl1  1  0.06  0.0  0.13  1.0

data_YNiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.45
_cell_length_c   6.21
_cell_angle_alpha   90.57
_cell_angle_beta   106.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiCl2
_chemical_formula_sum   'Y1 Ni1 Cl2'
_cell_volume   94.59
_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  0.93  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.13  0.06  1.0
  Cl  Cl3  1  0.0  0.31  0.79  1.0

Y Ni Cl Cl