data_[Na4Sm4Zn4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.7586]
_cell_length_b [4.3864]
_cell_length_c [8.6533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSmZnTe3]
_chemical_formula_sum '[Na4 Sm4 Zn4 Te12]'
_cell_volume [767.9239]
_cell_formula_units_Z [4]
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  0.1155  0.0000  0.0674  1
  Sm  Sm1  4  0.1710  0.0000  0.5761  1
  Zn  Zn2  4  0.0403  0.5000  0.7259  1
  Te  Te3  4  0.1687  0.5000  0.8316  1
  Te  Te4  4  0.1766  0.5000  0.3294  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
  Te  Te6  2  0.0000  0.5000  0.0000  1
]