data_[Ce1Cu2Ag1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [7.0937]
_cell_length_b [7.0937]
_cell_length_c [18.4753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [CeCu2AgBr6]
_chemical_formula_sum '[Ce1 Cu2 Ag1 Br6]'
_cell_volume [805.1366]
_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
[
  Ce  Ce0  1  0.3333  0.6667  0.5000  1
  Cu  Cu1  2  0.6667  0.3333  0.5729  1
  Ag  Ag2  1  0.0000  0.0000  0.5000  1
  Br  Br3  6  0.3316  0.0017  0.5941  1
]