data_[Pr4Er12Tm20]
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
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1224]
_cell_length_b [17.2867]
_cell_length_c [9.1528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [PrEr3Tm5]
_chemical_formula_sum '[Pr4 Er12 Tm20]'
_cell_volume [1126.9291]
_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  0.0000  0.2500  0.0492  1
  Er  Er1  8  0.0000  0.0639  0.7475  1
  Er  Er2  4  0.2500  0.2500  0.7500  1
  Tm  Tm3  16  0.2484  0.4141  0.0700  1
  Tm  Tm4  4  0.0000  0.2500  0.4102  1
]