data_[Pr36Er3In18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8641]
_cell_length_b [11.8641]
_cell_length_c [14.8324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12ErIn6]
_chemical_formula_sum '[Pr36 Er3 In18]'
_cell_volume [1808.0455]
_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  18  0.0633  0.2192  0.4110  1.0
  Pr  Pr1  18  0.0720  0.8815  0.8077  1.0
  Er  Er2  3  0.0000  0.0000  0.0000  1.0
  In  In3  18  0.0332  0.5904  0.7115  1.0
]