data_[Ce4Zn4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4355]
_cell_length_b [4.2786]
_cell_length_c [11.3241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeZnBr]
_chemical_formula_sum '[Ce4 Zn4 Br4]'
_cell_volume [360.2514]
_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  4  0.0030  0.0000  0.6792  1.0
  Zn  Zn1  4  0.1664  0.5000  0.4938  1.0
  Br  Br2  4  0.1721  0.5000  0.8375  1.0
]