data_[Ce16Sn4Pb4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.9679]
_cell_length_b [16.3868]
_cell_length_c [6.9744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce4SnPbC]
_chemical_formula_sum '[Ce16 Sn4 Pb4 C4]'
_cell_volume [796.3527]
_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  8  0.2500  0.2500  0.0000  1.0
  Ce  Ce1  4  0.0000  0.0919  0.2500  1.0
  Ce  Ce2  4  0.0000  0.4106  0.2500  1.0
  Sn  Sn3  4  0.0000  0.3888  0.7500  1.0
  Pb  Pb4  4  0.0000  0.1080  0.7500  1.0
  C  C5  4  0.0000  0.2515  0.2500  1.0
]