data_[Ce12Pm8Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.8112]
_cell_length_b [17.6893]
_cell_length_c [9.2796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce3(PmSn2)2]
_chemical_formula_sum '[Ce12 Pm8 Sn16]'
_cell_volume [1118.0603]
_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  0.2073  0.7500  1
  Ce  Ce1  4  0.0000  0.0000  0.5000  1
  Pm  Pm2  8  0.0000  0.1083  0.0855  1
  Sn  Sn3  8  0.0000  0.1785  0.4410  1
  Sn  Sn4  8  0.2500  0.0319  0.7500  1
]