data_[Pr12Ho4Er20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4196]
_cell_length_b [11.2389]
_cell_length_c [10.0776]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3HoEr5]
_chemical_formula_sum '[Pr12 Ho4 Er20]'
_cell_volume [1324.1971]
_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  0.0096  0.5000  0.8067  1
  Pr  Pr1  4  0.0271  0.0000  0.3665  1
  Pr  Pr2  2  0.0000  0.0000  0.0000  1
  Pr  Pr3  2  0.0000  0.5000  0.5000  1
  Ho  Ho4  4  0.2474  0.0000  0.3951  1
  Er  Er5  8  0.1626  0.2494  0.7565  1
  Er  Er6  4  0.0000  0.2589  0.0000  1
  Er  Er7  4  0.2143  0.5000  0.2245  1
  Er  Er8  4  0.2205  0.0000  0.0316  1
]