data_[Ce3Ho6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ho  1.2300  1.7500  1.0410
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2818]
_cell_length_b [7.2818]
_cell_length_c [22.4757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CeHo2Br6]
_chemical_formula_sum '[Ce3 Ho6 Br18]'
_cell_volume [1032.0925]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6682  1
  Ho  Ho1  3  0.0000  0.0000  0.2593  1
  Ho  Ho2  3  0.0000  0.0000  0.4104  1
  Br  Br3  9  0.0009  0.6283  0.4233  1
  Br  Br4  9  0.0137  0.3764  0.2422  1
]