data_YNbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   147.31
_cell_angle_beta   116.04
_cell_angle_gamma   73.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbCl2
_chemical_formula_sum   'Y1 Nb1 Cl2'
_cell_volume   84.39
_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  0.0  1.0
  Nb  Nb2  1  0.0  0.0  0.49  1.0
  Cl  Cl0  1  0.0  0.97  0.03  1.0
  Cl  Cl1  1  0.58  0.0  0.46  1.0

data_YNbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   63.96
_cell_angle_beta   73.65
_cell_angle_gamma   73.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbCl2
_chemical_formula_sum   'Y1 Nb1 Cl2'
_cell_volume   84.39
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.49  -0.0  0.51  1.0
  Cl  Cl2  1  0.03  -0.0  0.94  1.0
  Cl  Cl3  1  0.88  0.58  0.54  1.0

Y Nb Cl Cl