data_[Sm12Zn4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.5050]
_cell_length_b [13.0411]
_cell_length_c [7.7264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3ZnTe2]
_chemical_formula_sum '[Sm12 Zn4 Te8]'
_cell_volume [714.7707]
_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
[
  Sm  Sm0  8  0.2491  0.3296  0.7598  1
  Sm  Sm1  4  0.2371  0.5000  0.2365  1
  Zn  Zn2  4  0.0000  0.3320  0.0000  1
  Te  Te3  4  0.0000  0.1610  0.5000  1
  Te  Te4  2  0.0000  0.0000  0.0000  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
]