data_[Nd12In2Sn4Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9244]
_cell_length_b [4.4232]
_cell_length_c [9.2418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5803]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6InSn2Te3]
_chemical_formula_sum '[Nd12 In2 Sn4 Te6]'
_cell_volume [784.5516]
_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  4  0.0001  0.0000  0.2531  1.0
  Nd  Nd1  4  0.1667  0.5000  0.0844  1.0
  Nd  Nd2  4  0.1694  0.5000  0.5757  1.0
  In  In3  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn4  4  0.1649  0.0000  0.3280  1.0
  Te  Te5  4  0.1674  0.0000  0.8302  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]