data_[Pm10Tl2Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7987]
_cell_length_b [9.2220]
_cell_length_c [15.2107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pm5TlSn6]
_chemical_formula_sum '[Pm10 Tl2 Sn12]'
_cell_volume [673.1285]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.3294  1
  Pm  Pm1  4  0.0000  0.5000  0.3540  1
  Pm  Pm2  2  0.0000  0.5000  0.0000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Sn  Sn4  8  0.0000  0.2537  0.1713  1
  Sn  Sn5  4  0.0000  0.2361  0.5000  1
]