data_[Pm12Tl2Sn4Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3685]
_cell_length_b [4.3196]
_cell_length_c [8.8237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6TlSn2Se3]
_chemical_formula_sum '[Pm12 Tl2 Sn4 Se6]'
_cell_volume [700.0494]
_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  0.0069  0.0000  0.7355  1
  Pm  Pm1  4  0.1657  0.5000  0.5815  1
  Pm  Pm2  4  0.1720  0.5000  0.0712  1
  Tl  Tl3  2  0.0000  0.5000  0.0000  1
  Sn  Sn4  4  0.1619  0.0000  0.3203  1
  Se  Se5  4  0.1681  0.0000  0.8272  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]