data_[Pr4Er16In4]
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 [C2/c]
_cell_length_a [10.3924]
_cell_length_b [6.0705]
_cell_length_c [11.7963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrEr4In]
_chemical_formula_sum '[Pr4 Er16 In4]'
_cell_volume [714.2704]
_cell_formula_units_Z [4]
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  0.0000  0.0922  0.7500  1.0
  Er  Er1  8  0.0814  0.2528  0.4993  1.0
  Er  Er2  8  0.1740  0.4336  0.2522  1.0
  In  In3  4  0.2500  0.2500  0.0000  1.0
]