data_[Pr4Er4Si16]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.2268]
_cell_length_b [14.7415]
_cell_length_c [4.1117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [PrErSi4]
_chemical_formula_sum '[Pr4 Er4 Si16]'
_cell_volume [498.6512]
_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  0.1190  0.1399  0.0000  1
  Er  Er1  4  0.1395  0.4123  0.0000  1
  Si  Si2  4  0.0158  0.2967  0.5000  1
  Si  Si3  4  0.1216  0.5555  0.5000  1
  Si  Si4  4  0.1256  0.9622  0.5000  1
  Si  Si5  4  0.1966  0.8038  0.5000  1
]