data_[Ce4Sc2Bi2]
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 [P2_1/m]
_cell_length_a [4.3615]
_cell_length_b [4.3071]
_cell_length_c [11.5840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce2ScBi]
_chemical_formula_sum '[Ce4 Sc2 Bi2]'
_cell_volume [213.9440]
_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  2  0.0091  0.2500  0.1229  1.0
  Ce  Ce1  2  0.4079  0.2500  0.8860  1.0
  Sc  Sc2  2  0.3066  0.7500  0.6163  1.0
  Bi  Bi3  2  0.1807  0.7500  0.3498  1.0
]