data_[Gd3As2I3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.5689]
_cell_length_b [7.5689]
_cell_length_c [18.8894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Gd3As2I3]
_chemical_formula_sum '[Gd3 As2 I3]'
_cell_volume [937.1726]
_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
[
  Gd  Gd0  3  0.0000  0.4135  0.5150  1
  As  As1  2  0.3333  0.6667  0.5965  1
  I  I2  2  0.3333  0.6667  0.3906  1
  I  I3  1  0.0000  0.0000  0.4808  1
]