data_[Pr1Dy1I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Dy  1.2200  1.7500  1.1310
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3156]
_cell_length_b [4.1881]
_cell_length_c [8.3708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrDyI4]
_chemical_formula_sum '[Pr1 Dy1 I4]'
_cell_volume [246.0167]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Dy  Dy1  1  0.5000  0.0000  0.5000  1
  I  I2  2  0.2624  0.0000  0.7542  1
  I  I3  2  0.2642  0.5000  0.2547  1
]