data_[Pr2In4F16]
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 [12.3478]
_cell_length_b [4.9534]
_cell_length_c [4.9928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrIn2F8]
_chemical_formula_sum '[Pr2 In4 F16]'
_cell_volume [291.9259]
_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  2  0.0000  0.0000  0.0000  1
  In  In1  4  0.1629  0.5000  0.5993  1
  F  F2  8  0.1771  0.2454  0.2387  1
  F  F3  4  0.0169  0.5000  0.7644  1
  F  F4  4  0.1067  0.0000  0.6732  1
]