data_[Pm8Tm12Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.9439]
_cell_length_b [16.9930]
_cell_length_c [8.8772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pm2Tm3Sn4]
_chemical_formula_sum '[Pm8 Tm12 Sn16]'
_cell_volume [1047.4875]
_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  8  0.0000  0.1112  0.4112  1
  Tm  Tm1  8  0.2500  0.2072  0.7500  1
  Tm  Tm2  4  0.0000  0.0000  0.0000  1
  Sn  Sn3  8  0.0000  0.1864  0.0545  1
  Sn  Sn4  8  0.2500  0.0315  0.7500  1
]