data_[Pr8Er48Zr4]
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
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0708]
_cell_length_b [10.9095]
_cell_length_c [24.3274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Er12Zr]
_chemical_formula_sum '[Pr8 Er48 Zr4]'
_cell_volume [1876.3827]
_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  0.1113  0.5000  0.2749  1
  Pr  Pr1  4  0.1127  0.0000  0.2789  1
  Er  Er2  8  0.1206  0.2269  0.9413  1
  Er  Er3  8  0.1222  0.2481  0.4454  1
  Er  Er4  8  0.1344  0.2498  0.6684  1
  Er  Er5  8  0.1471  0.2542  0.8039  1
  Er  Er6  4  0.0971  0.5000  0.1203  1
  Er  Er7  4  0.1008  0.0000  0.1325  1
  Er  Er8  4  0.1263  0.5000  0.5707  1
  Er  Er9  4  0.1306  0.0000  0.5696  1
  Zr  Zr10  4  0.2139  0.5000  0.9834  1
]