data_[Ce16Bi4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8096]
_cell_length_b [6.8589]
_cell_length_c [6.0223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4BiRu]
_chemical_formula_sum '[Ce16 Bi4 Ru4]'
_cell_volume [652.1072]
_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  0.1205  0.2179  0.6245  1.0
  Ce  Ce1  4  0.0000  0.2129  0.0000  1.0
  Ce  Ce2  4  0.1960  0.5000  0.1989  1.0
  Bi  Bi3  4  0.1953  0.0000  0.1969  1.0
  Ru  Ru4  4  0.0375  0.5000  0.3295  1.0
]