data_[Dy21P3Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.7203]
_cell_length_b [14.7203]
_cell_length_c [9.8335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Dy7PBr12]
_chemical_formula_sum '[Dy21 P3 Br36]'
_cell_volume [1845.3190]
_cell_formula_units_Z [3]
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  18  0.0451  0.8811  0.8505  1
  Dy  Dy1  3  0.0000  0.0000  0.5000  1
  P  P2  3  0.0000  0.0000  0.0000  1
  Br  Br3  18  0.0234  0.4372  0.6629  1
  Br  Br4  18  0.0494  0.8706  0.3376  1
]