data_[Y2N1Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.6003]
_cell_length_b [21.1345]
_cell_length_c [7.5147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Y2NCl3]
_chemical_formula_sum '[Y2 N1 Cl3]'
_cell_volume [712.6651]
_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  2  0.3987  0.4207  0.0068  1
  N  N1  1  0.4510  0.5000  0.1549  1
  Cl  Cl2  2  0.9055  0.3549  0.0258  1
  Cl  Cl3  1  0.2997  0.5000  0.7242  1
]