data_[Pr4Sm2Er6Se12]
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
  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 [18.2278]
_cell_length_b [4.0721]
_cell_length_c [8.4149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Sm(ErSe2)3]
_chemical_formula_sum '[Pr4 Sm2 Er6 Se12]'
_cell_volume [600.8220]
_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  0.1672  0.0000  0.3341  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  4  0.1681  0.0000  0.8335  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0051  0.0000  0.7434  1.0
  Se  Se5  4  0.1617  0.5000  0.5952  1.0
  Se  Se6  4  0.1689  0.5000  0.0698  1.0
]