data_[Pm12Tl2P4S6]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0881]
_cell_length_b [4.1110]
_cell_length_c [8.3863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6TlP2S3]
_chemical_formula_sum '[Pm12 Tl2 P4 S6]'
_cell_volume [607.4152]
_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  0.0018  0.0000  0.2716  1
  Pm  Pm1  4  0.1694  0.5000  0.5780  1
  Pm  Pm2  4  0.1735  0.5000  0.0944  1
  Tl  Tl3  2  0.0000  0.5000  0.0000  1
  P  P4  4  0.1678  0.0000  0.3353  1
  S  S5  4  0.1666  0.0000  0.8316  1
  S  S6  2  0.0000  0.5000  0.5000  1
]