data_[Pr6Ga4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2931]
_cell_length_b [4.2152]
_cell_length_c [9.7997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(GaI)2]
_chemical_formula_sum '[Pr6 Ga4 I4]'
_cell_volume [447.4876]
_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  0.2038  0.0000  0.7268  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.1861  0.5000  0.9447  1
  I  I3  4  0.1007  0.0000  0.3574  1
]