data_[Li2Nd2Sn2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5511]
_cell_length_b [3.8869]
_cell_length_c [8.8333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiNdSnS3]
_chemical_formula_sum '[Li2 Nd2 Sn2 S6]'
_cell_volume [292.1420]
_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
[
  Li  Li0  2  0.1052  0.2500  0.5834  1.0
  Nd  Nd1  2  0.1512  0.2500  0.2064  1.0
  Sn  Sn2  2  0.3539  0.7500  0.8318  1.0
  S  S3  2  0.1085  0.2500  0.8680  1.0
  S  S4  2  0.1814  0.7500  0.4440  1.0
  S  S5  2  0.3846  0.7500  0.1270  1.0
]