data_[Na6Nd2Tm4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6909]
_cell_length_b [13.3234]
_cell_length_c [7.9920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Nd(TmTe3)2]
_chemical_formula_sum '[Na6 Nd2 Tm4 Te12]'
_cell_volume [775.4437]
_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
[
  Na  Na0  4  0.0000  0.1633  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Tm  Tm3  4  0.0000  0.3328  0.0000  1
  Te  Te4  8  0.2496  0.1718  0.2324  1
  Te  Te5  4  0.2335  0.5000  0.2320  1
]