data_[Pr2Dy4Er6Se12]
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
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0766]
_cell_length_b [12.2343]
_cell_length_c [7.1046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrDy2(ErSe2)3]
_chemical_formula_sum '[Pr2 Dy4 Er6 Se12]'
_cell_volume [579.5736]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Dy  Dy1  4  0.0000  0.3346  0.0000  1.0
  Er  Er2  4  0.0000  0.1593  0.5000  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2409  0.3274  0.7389  1.0
  Se  Se5  4  0.2412  0.5000  0.2555  1.0
]