data_[Dy3Se1Br7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [8.3116]
_cell_length_b [8.3116]
_cell_length_c [7.0164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Dy3SeBr7]
_chemical_formula_sum '[Dy3 Se1 Br7]'
_cell_volume [419.7678]
_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  0.1605  0.8395  0.2239  1.0
  Se  Se1  1  0.0000  0.0000  0.4425  1.0
  Br  Br2  3  0.0143  0.5071  0.4359  1.0
  Br  Br3  3  0.3206  0.1603  0.9918  1.0
  Br  Br4  1  0.3333  0.6667  0.9875  1.0
]