data_[La12Ni6Cl4]
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 [7.0799]
_cell_length_b [12.6058]
_cell_length_c [7.4643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ni3Cl2]
_chemical_formula_sum '[La12 Ni6 Cl4]'
_cell_volume [636.3269]
_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  8  0.2492  0.3375  0.7833  1
  La  La1  4  0.2383  0.5000  0.2204  1
  Ni  Ni2  4  0.0000  0.3299  0.0000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  Cl  Cl4  4  0.0000  0.1691  0.5000  1
]