data_[Gd2Sb1I1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.2875]
_cell_length_b [4.2875]
_cell_length_c [10.9584]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Gd2SbICl]
_chemical_formula_sum '[Gd2 Sb1 I1 Cl1]'
_cell_volume [174.4540]
_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  1  0.3333  0.6667  0.8485  1
  Gd  Gd1  1  0.6667  0.3333  0.1685  1
  Sb  Sb2  1  0.0000  0.0000  0.0092  1
  I  I3  1  0.6667  0.3333  0.6674  1
  Cl  Cl4  1  0.3333  0.6667  0.3064  1
]