data_[Pr4Sm1Er15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0350]
_cell_length_b [5.0350]
_cell_length_c [25.0194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pr4SmEr15]
_chemical_formula_sum '[Pr4 Sm1 Er15]'
_cell_volume [634.2640]
_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  2  0.0000  0.0000  0.1998  1
  Pr  Pr1  2  0.0000  0.0000  0.3998  1
  Sm  Sm2  1  0.0000  0.0000  0.0000  1
  Er  Er3  4  0.0000  0.5000  0.0992  1
  Er  Er4  4  0.0000  0.5000  0.2997  1
  Er  Er5  2  0.0000  0.5000  0.5000  1
  Er  Er6  2  0.5000  0.5000  0.1995  1
  Er  Er7  2  0.5000  0.5000  0.3999  1
  Er  Er8  1  0.5000  0.5000  0.0000  1
]