data_[Pr16Er4In4]
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 [Cmc2_1]
_cell_length_a [5.0898]
_cell_length_b [26.3549]
_cell_length_c [6.3508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr4ErIn]
_chemical_formula_sum '[Pr16 Er4 In4]'
_cell_volume [851.9045]
_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  0.1079  0.2988  1
  Pr  Pr1  4  0.0000  0.2730  0.5211  1
  Pr  Pr2  4  0.0000  0.3223  0.9970  1
  Pr  Pr3  4  0.0000  0.4757  0.0059  1
  Er  Er4  4  0.0000  0.4002  0.4327  1
  In  In5  4  0.0000  0.1631  0.8111  1
]