data_[Pr1Gd1P1I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Gd  1.2000  1.8000  1.0750
  P  2.1900  1.0000  0.5500
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2035]
_cell_length_b [4.2035]
_cell_length_c [11.0849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrGdPI2]
_chemical_formula_sum '[Pr1 Gd1 P1 I2]'
_cell_volume [169.6228]
_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  0.3333  0.6667  0.1390  1
  Gd  Gd1  1  0.0000  0.0000  0.8600  1
  P  P2  1  0.6667  0.3333  0.9921  1
  I  I3  1  0.0000  0.0000  0.3333  1
  I  I4  1  0.3333  0.6667  0.6756  1
]