data_[Pr4Ag4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8367]
_cell_length_b [4.7736]
_cell_length_c [11.6541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrAgI]
_chemical_formula_sum '[Pr4 Ag4 I4]'
_cell_volume [435.9296]
_cell_formula_units_Z [4]
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  0.0250  0.0000  0.3373  1.0
  Ag  Ag1  4  0.1704  0.5000  0.4981  1.0
  I  I2  4  0.1774  0.5000  0.1657  1.0
]