data_[Ce4Sn3Pb1]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4713]
_cell_length_b [4.7322]
_cell_length_c [11.8705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ce4Sn3Pb]
_chemical_formula_sum '[Ce4 Sn3 Pb1]'
_cell_volume [251.1679]
_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  1  0.0000  0.0000  0.8660  1.0
  Ce  Ce1  1  0.0000  0.5000  0.3669  1.0
  Ce  Ce2  1  0.5000  0.0000  0.1357  1.0
  Ce  Ce3  1  0.5000  0.5000  0.6303  1.0
  Sn  Sn4  1  0.0000  0.0000  0.5913  1.0
  Sn  Sn5  1  0.0000  0.5000  0.0940  1.0
  Sn  Sn6  1  0.5000  0.0000  0.4098  1.0
  Pb  Pb7  1  0.5000  0.5000  0.9061  1.0
]