data_[Nd12Si4Ni2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  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 [18.4118]
_cell_length_b [4.1483]
_cell_length_c [8.6285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4085]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Si2NiCl3]
_chemical_formula_sum '[Nd12 Si4 Ni2 Cl6]'
_cell_volume [641.0655]
_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
[
  Nd  Nd0  4  0.0032  0.0000  0.2236  1.0
  Nd  Nd1  4  0.1584  0.5000  0.0958  1.0
  Nd  Nd2  4  0.1715  0.5000  0.5708  1.0
  Si  Si3  4  0.1654  0.0000  0.3349  1.0
  Ni  Ni4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1715  0.0000  0.8355  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]