data_[Dy3Te1I7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [8.7802]
_cell_length_b [8.7802]
_cell_length_c [7.4792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Dy3TeI7]
_chemical_formula_sum '[Dy3 Te1 I7]'
_cell_volume [499.3382]
_cell_formula_units_Z [1]
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
[
  Dy  Dy0  3  0.1604  0.3208  0.2232  1.0
  Te  Te1  1  0.0000  0.0000  0.4571  1.0
  I  I2  3  0.0075  0.5038  0.4453  1.0
  I  I3  3  0.3264  0.1632  0.9813  1.0
  I  I4  1  0.3333  0.6667  0.9784  1.0
]