data_[Ce2Sc1Ni4Sb3]
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
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3394]
_cell_length_b [4.3394]
_cell_length_c [10.4529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ce2ScNi4Sb3]
_chemical_formula_sum '[Ce2 Sc1 Ni4 Sb3]'
_cell_volume [196.8349]
_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  0.0000  0.5000  0.7695  1
  Sc  Sc1  1  0.5000  0.5000  0.5000  1
  Ni  Ni2  2  0.0000  0.5000  0.3646  1
  Ni  Ni3  1  0.0000  0.0000  0.0000  1
  Ni  Ni4  1  0.5000  0.5000  0.0000  1
  Sb  Sb5  2  0.0000  0.5000  0.1282  1
  Sb  Sb6  1  0.0000  0.0000  0.5000  1
]