data_[Nd2Sn2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3397]
_cell_length_b [4.4697]
_cell_length_c [12.1740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdSnI]
_chemical_formula_sum '[Nd2 Sn2 I2]'
_cell_volume [232.6595]
_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  0.4229  0.7500  0.8387  1
  Sn  Sn1  2  0.0375  0.7500  0.0788  1
  I  I2  2  0.1691  0.2500  0.3534  1
]