data_[Ce3B2Rh9Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8274]
_cell_length_b [5.8274]
_cell_length_c [8.5704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ce3B2Rh9Se]
_chemical_formula_sum '[Ce3 B2 Rh9 Se1]'
_cell_volume [252.0468]
_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  2  0.3333  0.6667  0.6696  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  B  B2  2  0.3333  0.6667  0.1495  1
  Rh  Rh3  6  0.1633  0.3267  0.2835  1
  Rh  Rh4  3  0.0000  0.5000  0.0000  1
  Se  Se5  1  0.0000  0.0000  0.5000  1
]