data_[Pr4In2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5625]
_cell_length_b [3.8332]
_cell_length_c [5.6876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2InF8]
_chemical_formula_sum '[Pr4 In2 F16]'
_cell_volume [320.0198]
_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  0.1768  0.0000  0.6859  1.0
  In  In1  2  0.0000  0.5000  0.0000  1.0
  F  F2  4  0.0429  0.0000  0.8248  1.0
  F  F3  4  0.0977  0.5000  0.4459  1.0
  F  F4  4  0.1823  0.5000  0.9633  1.0
  F  F5  4  0.2209  0.0000  0.3290  1.0
]