data_[La8Ni2Cl10]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3679]
_cell_length_b [3.9519]
_cell_length_c [8.5714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4NiCl5]
_chemical_formula_sum '[La8 Ni2 Cl10]'
_cell_volume [608.3635]
_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  0.0044  0.0000  0.2241  1
  La  La1  4  0.1698  0.5000  0.0702  1
  Ni  Ni2  2  0.0000  0.5000  0.0000  1
  Cl  Cl3  4  0.1618  0.0000  0.8106  1
  Cl  Cl4  4  0.1670  0.0000  0.3176  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]