data_[Ba8Pm12Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pm  1.1300  1.8500  1.1100
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.5308]
_cell_length_b [18.1495]
_cell_length_c [9.3159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ba2Pm3Sn4]
_chemical_formula_sum '[Ba8 Pm12 Sn16]'
_cell_volume [1273.2923]
_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
[
  Ba  Ba0  8  0.0000  0.1102  0.4163  1
  Pm  Pm1  8  0.2500  0.2112  0.7500  1
  Pm  Pm2  4  0.0000  0.0000  0.0000  1
  Sn  Sn3  8  0.0000  0.1880  0.0443  1
  Sn  Sn4  8  0.2500  0.0390  0.7500  1
]