data_[Pr3Nd3Er6Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3404]
_cell_length_b [7.3404]
_cell_length_c [19.4523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [PrNd(ErSe3)2]
_chemical_formula_sum '[Pr3 Nd3 Er6 Se18]'
_cell_volume [907.6940]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8108  1.0
  Nd  Nd1  3  0.0000  0.0000  0.3124  1.0
  Er  Er2  3  0.0000  0.0000  0.0127  1.0
  Er  Er3  3  0.0000  0.0000  0.5135  1.0
  Se  Se4  9  0.0439  0.3538  0.5853  1.0
  Se  Se5  9  0.0479  0.6943  0.0854  1.0
]