data_[Pr16Tm2In4]
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 [C2/m]
_cell_length_a [17.8298]
_cell_length_b [5.2370]
_cell_length_c [8.4110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9326]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8TmIn2]
_chemical_formula_sum '[Pr16 Tm2 In4]'
_cell_volume [738.3195]
_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  0.0528  0.0000  0.7377  1.0
  Pr  Pr1  4  0.1005  0.5000  0.4667  1.0
  Pr  Pr2  4  0.1434  0.0000  0.2043  1.0
  Pr  Pr3  4  0.1861  0.5000  0.9477  1.0
  Tm  Tm4  2  0.0000  0.5000  0.0000  1.0
  In  In5  4  0.2253  0.0000  0.6392  1.0
]