data_[Nd2In2Sn2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [7.3768]
_cell_length_b [7.3768]
_cell_length_c [13.4912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [NdInSnCl6]
_chemical_formula_sum '[Nd2 In2 Sn2 Cl12]'
_cell_volume [635.7960]
_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  2  0.3333  0.6667  0.2500  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.3333  0.6667  0.7500  1.0
  Cl  Cl3  12  0.0108  0.3699  0.1357  1.0
]