data_[La3Pr3Er6Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3721]
_cell_length_b [7.3721]
_cell_length_c [19.3810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LaPr(ErSe3)2]
_chemical_formula_sum '[La3 Pr3 Er6 Se18]'
_cell_volume [912.1939]
_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
[
  La  La0  3  0.0000  0.0000  0.8091  1.0
  Pr  Pr1  3  0.0000  0.0000  0.3108  1.0
  Er  Er2  3  0.0000  0.0000  0.0133  1.0
  Er  Er3  3  0.0000  0.0000  0.5139  1.0
  Se  Se4  9  0.0476  0.3536  0.5855  1.0
  Se  Se5  9  0.0527  0.6998  0.0858  1.0
]