data_[Ce16Ga20Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [15.9678]
_cell_length_b [16.9427]
_cell_length_c [4.2745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ce4Ga5Br2]
_chemical_formula_sum '[Ce16 Ga20 Br8]'
_cell_volume [1156.4315]
_cell_formula_units_Z [4]
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  8  0.1427  0.1828  0.5000  1
  Ce  Ce1  4  0.0000  0.3670  0.0000  1
  Ce  Ce2  4  0.2306  0.5000  0.0000  1
  Ga  Ga3  8  0.1475  0.3657  0.5000  1
  Ga  Ga4  8  0.2170  0.3181  0.0000  1
  Ga  Ga5  4  0.0789  0.5000  0.5000  1
  Br  Br6  4  0.0000  0.1728  0.0000  1
  Br  Br7  4  0.1240  0.0000  0.5000  1
]