data_[Sr2Nd4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Nd  1.1400  1.8500  1.2765
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5978]
_cell_length_b [12.5631]
_cell_length_c [5.4762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNd2Cl8]
_chemical_formula_sum '[Sr2 Nd4 Cl16]'
_cell_volume [573.9268]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1.0
  Nd  Nd1  4  0.0000  0.3170  0.5000  1.0
  Cl  Cl2  8  0.1939  0.1312  0.5845  1.0
  Cl  Cl3  4  0.0000  0.2383  0.0000  1.0
  Cl  Cl4  4  0.1241  0.5000  0.8054  1.0
]