data_[Ce4Si5B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3373]
_cell_length_b [4.3915]
_cell_length_c [7.2136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4Si5B2]
_chemical_formula_sum '[Ce4 Si5 B2]'
_cell_volume [200.7031]
_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  0.2257  0.5000  0.1333  1
  Ce  Ce1  2  0.2501  0.5000  0.6169  1
  Si  Si2  2  0.1045  0.0000  0.8607  1
  Si  Si3  2  0.3981  0.0000  0.3583  1
  Si  Si4  1  0.5000  0.0000  0.0000  1
  B  B5  2  0.0686  0.0000  0.3963  1
]