data_[Pr24Er12Tm3]
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 [R-3m]
_cell_length_a [7.2560]
_cell_length_b [7.2560]
_cell_length_c [29.5506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr8Er4Tm]
_chemical_formula_sum '[Pr24 Er12 Tm3]'
_cell_volume [1347.3847]
_cell_formula_units_Z [3]
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  18  0.0258  0.5129  0.7623  1
  Pr  Pr1  6  0.0000  0.0000  0.2117  1
  Er  Er2  9  0.0000  0.5000  0.0000  1
  Er  Er3  3  0.0000  0.0000  0.0000  1
  Tm  Tm4  3  -0.0000  -0.0000  0.5000  1
]