data_[Nd12Ga2Si4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5396]
_cell_length_b [4.2389]
_cell_length_c [8.5121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6GaSi2Cl3]
_chemical_formula_sum '[Nd12 Ga2 Si4 Cl6]'
_cell_volume [653.0134]
_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  0.0051  0.0000  0.2446  1.0
  Nd  Nd1  4  0.1630  0.5000  0.0979  1.0
  Nd  Nd2  4  0.1731  0.5000  0.5710  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  Si  Si4  4  0.1665  0.0000  0.3340  1.0
  Cl  Cl5  4  0.1678  0.0000  0.8331  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]