data_[Pm2Tl6Ge4Te12]
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
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7527]
_cell_length_b [13.4553]
_cell_length_c [7.9485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmTl3(GeTe3)2]
_chemical_formula_sum '[Pm2 Tl6 Ge4 Te12]'
_cell_volume [783.7457]
_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  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.1583  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Ge  Ge3  4  0.0000  0.3281  0.0000  1
  Te  Te4  8  0.2458  0.1731  0.2179  1
  Te  Te5  4  0.2237  0.5000  0.2132  1
]