data_[La12Nd12Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [19.3572]
_cell_length_b [5.9585]
_cell_length_c [13.6881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.5775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LaNdCl]
_chemical_formula_sum '[La12 Nd12 Cl12]'
_cell_volume [1124.5749]
_cell_formula_units_Z [12]
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  0.2385  0.4766  0.6270  1
  La  La1  4  0.2389  0.0260  0.3494  1
  La  La2  4  0.4358  0.4963  0.1034  1
  Nd  Nd3  4  0.0351  0.0122  0.9596  1
  Nd  Nd4  4  0.0353  0.4881  0.6117  1
  Nd  Nd5  4  0.4347  0.0020  0.2674  1
  Cl  Cl6  4  0.1009  0.2523  0.3517  1
  Cl  Cl7  4  0.2404  0.4689  0.8430  1
  Cl  Cl8  4  0.2405  0.0283  0.1367  1
]