data_[Pr21Tm36In3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2219]
_cell_length_b [12.2219]
_cell_length_c [15.3430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr7Tm12In]
_chemical_formula_sum '[Pr21 Tm36 In3]'
_cell_volume [1984.8039]
_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  0.0092  0.5777  0.2056  1
  Pr  Pr1  3  -0.0000  0.0000  0.5000  1
  Tm  Tm2  18  0.0333  0.8472  0.3080  1
  Tm  Tm3  18  0.0703  0.2580  0.9225  1
  In  In4  3  0.0000  0.0000  0.0000  1
]