data_[Pr4Sm2Er24]
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 [Cmmm]
_cell_length_a [3.5515]
_cell_length_b [48.0853]
_cell_length_c [5.5998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr2SmEr12]
_chemical_formula_sum '[Pr4 Sm2 Er24]'
_cell_volume [956.3112]
_cell_formula_units_Z [2]
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  0.1402  0.5000  1
  Sm  Sm1  2  0.0000  0.5000  0.5000  1
  Er  Er2  4  0.0000  0.0335  0.0000  1
  Er  Er3  4  0.0000  0.0677  0.5000  1
  Er  Er4  4  0.0000  0.2225  0.0000  1
  Er  Er5  4  0.0000  0.2850  0.5000  1
  Er  Er6  4  0.0000  0.3348  0.0000  1
  Er  Er7  4  0.0000  0.4041  0.0000  1
]