data_[Pr2Y6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.6465]
_cell_length_b [4.1573]
_cell_length_c [11.9456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0939]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr(YSe2)3]
_chemical_formula_sum '[Pr2 Y6 Se12]'
_cell_volume [546.5614]
_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  0.0475  0.2500  0.6954  1
  Y  Y1  2  0.1591  0.2500  0.0857  1
  Y  Y2  2  0.3190  0.7500  0.4997  1
  Y  Y3  2  0.4385  0.2500  0.8334  1
  Se  Se4  2  0.0838  0.7500  0.9053  1
  Se  Se5  2  0.1171  0.2500  0.4653  1
  Se  Se6  2  0.1963  0.7500  0.2502  1
  Se  Se7  2  0.2613  0.7500  0.7266  1
  Se  Se8  2  0.3936  0.2500  0.0590  1
  Se  Se9  2  0.4806  0.2500  0.6142  1
]