data_[Dy12P4Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0085]
_cell_length_b [13.6082]
_cell_length_c [7.2891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Dy3PSe6]
_chemical_formula_sum '[Dy12 P4 Se24]'
_cell_volume [1091.9511]
_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
[
  Dy  Dy0  8  0.1848  0.0981  0.0286  1.0
  Dy  Dy1  4  0.0000  0.3989  0.0997  1.0
  P  P2  4  0.0000  0.1930  0.4423  1.0
  Se  Se3  8  0.1621  0.4737  0.8141  1.0
  Se  Se4  8  0.1671  0.2628  0.2982  1.0
  Se  Se5  4  0.0000  0.0325  0.3087  1.0
  Se  Se6  4  0.0000  0.2171  0.8823  1.0
]