data_[Ce10Sc2Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.6225]
_cell_length_b [10.7370]
_cell_length_c [12.4815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce5ScBi4]
_chemical_formula_sum '[Ce10 Sc2 Bi8]'
_cell_volume [619.4830]
_cell_formula_units_Z [2]
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  0.0000  0.3097  0.1570  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  Sc  Sc2  2  0.0000  0.0000  0.0000  1
  Bi  Bi3  4  0.0000  0.0000  0.2391  1
  Bi  Bi4  4  0.0000  0.3115  0.5000  1
]