data_[Ce6Ga4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [11.3022]
_cell_length_b [4.1372]
_cell_length_c [9.5432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3(GaI)2]
_chemical_formula_sum '[Ce6 Ga4 I4]'
_cell_volume [428.6621]
_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
[
  Ce  Ce0  4  0.2039  0.0000  0.7160  1
  Ce  Ce1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.1859  0.5000  0.9441  1
  I  I3  4  0.0962  0.0000  0.3533  1
]