data_[Pm12Ni12Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [9.6560]
_cell_length_b [9.6560]
_cell_length_c [9.6560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [220]
_chemical_formula_structural [Pm3Ni3Sn4]
_chemical_formula_sum '[Pm12 Ni12 Sn16]'
_cell_volume [900.3140]
_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
[
  Pm  Pm0  12  0.0000  0.2500  0.3750  1
  Ni  Ni1  12  0.0000  0.2500  0.8750  1
  Sn  Sn2  16  0.0750  0.0750  0.0750  1
]