data_[Sr6Li2Nd4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9523]
_cell_length_b [13.7658]
_cell_length_c [7.9994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Li(NdTe3)2]
_chemical_formula_sum '[Sr6 Li2 Nd4 Te12]'
_cell_volume [825.8815]
_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  4  0.0000  0.1679  0.5000  1
  Sr  Sr1  2  0.0000  0.5000  0.5000  1
  Li  Li2  2  0.0000  0.0000  0.0000  1
  Nd  Nd3  4  0.0000  0.3339  0.0000  1
  Te  Te4  8  0.2423  0.1645  0.2340  1
  Te  Te5  4  0.2493  0.5000  0.2354  1
]