data_[Pr8Dy4Mn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0971]
_cell_length_b [17.4674]
_cell_length_c [12.5590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2DyMnSe5]
_chemical_formula_sum '[Pr8 Dy4 Mn4 Se20]'
_cell_volume [898.7875]
_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
[
  Pr  Pr0  4  0.0000  0.1186  0.3443  1.0
  Pr  Pr1  4  0.0000  0.1211  0.6937  1.0
  Dy  Dy2  4  0.0000  0.1824  0.0240  1.0
  Mn  Mn3  4  0.0000  0.4461  0.4260  1.0
  Se  Se4  4  0.0000  0.0170  0.0229  1.0
  Se  Se5  4  0.0000  0.3027  0.6847  1.0
  Se  Se6  4  0.0000  0.3084  0.3596  1.0
  Se  Se7  4  0.0000  0.3454  0.0176  1.0
  Se  Se8  4  0.0000  0.4951  0.7511  1.0
]