data_[Li4Nd2Sn6Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5888]
_cell_length_b [13.1757]
_cell_length_c [7.8414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Nd(SnTe2)3]
_chemical_formula_sum '[Li4 Nd2 Sn6 Te12]'
_cell_volume [742.0933]
_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  4  0.0000  0.3274  0.0000  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.0000  0.1613  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  8  0.2499  0.6690  0.7557  1.0
  Te  Te5  4  0.2425  0.5000  0.2453  1.0
]