data_[Ce4Np4Si12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Np  1.3600  1.7500  1.0000
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0779]
_cell_length_b [24.8637]
_cell_length_c [3.9907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeNpSi3]
_chemical_formula_sum '[Ce4 Np4 Si12]'
_cell_volume [404.6197]
_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  4  0.0000  0.2039  0.7500  1
  Np  Np1  4  0.0000  0.0681  0.2500  1
  Si  Si2  4  0.0000  0.3312  0.7500  1
  Si  Si3  4  0.0000  0.3839  0.2500  1
  Si  Si4  4  0.0000  0.4766  0.2500  1
]