data_[Pr4Sm2Y6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2308]
_cell_length_b [4.1208]
_cell_length_c [8.4138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm(YSe2)3]
_chemical_formula_sum '[Pr4 Sm2 Y6 Se12]'
_cell_volume [610.8340]
_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  4  0.1673  0.0000  0.3346  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Y  Y2  4  0.1682  0.0000  0.8332  1.0
  Y  Y3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0041  0.0000  0.7466  1.0
  Se  Se5  4  0.1626  0.5000  0.5926  1.0
  Se  Se6  4  0.1678  0.5000  0.0726  1.0
]