data_[La12Ni2N4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7683]
_cell_length_b [3.7931]
_cell_length_c [8.5631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6NiN2Cl3]
_chemical_formula_sum '[La12 Ni2 N4 Cl6]'
_cell_volume [570.4772]
_cell_formula_units_Z [2]
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
[
  La  La0  4  0.0200  0.0000  0.2350  1
  La  La1  4  0.1694  0.5000  0.1378  1
  La  La2  4  0.1810  0.5000  0.5514  1
  Ni  Ni3  2  0.0000  0.5000  0.0000  1
  N  N4  4  0.1737  0.0000  0.3371  1
  Cl  Cl5  4  0.1599  0.0000  0.8279  1
  Cl  Cl6  2  0.0000  0.5000  0.5000  1
]