data_[Pr1Er3Zn8]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.5500]
_cell_length_b [5.5500]
_cell_length_c [8.6745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrEr3Zn8]
_chemical_formula_sum '[Pr1 Er3 Zn8]'
_cell_volume [231.3993]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4469  1.0
  Er  Er1  1  0.0000  0.0000  0.0565  1.0
  Er  Er2  1  0.6667  0.3333  0.5547  1.0
  Er  Er3  1  0.6667  0.3333  0.9384  1.0
  Zn  Zn4  3  0.1657  0.3314  0.7559  1.0
  Zn  Zn5  3  0.5027  0.0054  0.2454  1.0
  Zn  Zn6  1  0.3333  0.6667  0.0008  1.0
  Zn  Zn7  1  0.3333  0.6667  0.4988  1.0
]