data_[Cs1Nd1Mg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7026]
_cell_length_b [6.8642]
_cell_length_c [9.5691]
_cell_angle_alpha [72.0236]
_cell_angle_beta [74.1303]
_cell_angle_gamma [72.8741]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsNdMg2Cl8]
_chemical_formula_sum '[Cs1 Nd1 Mg2 Cl8]'
_cell_volume [392.0401]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.4642  0.4537  0.7062  1.0
  Cl  Cl3  2  0.1822  0.7040  0.2331  1.0
  Cl  Cl4  2  0.2553  0.7693  0.7983  1.0
  Cl  Cl5  2  0.2913  0.2350  0.9392  1.0
  Cl  Cl6  2  0.3961  0.2978  0.5336  1.0
]