data_[Pm12Te2Se6S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2710]
_cell_length_b [4.1659]
_cell_length_c [8.4586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6TeSe3S2]
_chemical_formula_sum '[Pm12 Te2 Se6 S4]'
_cell_volume [626.0973]
_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  0.0101  0.0000  0.2729  1
  Pm  Pm1  4  0.1706  0.5000  0.5728  1
  Pm  Pm2  4  0.1747  0.5000  0.1088  1
  Te  Te3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.1610  0.0000  0.8346  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  S  S6  4  0.1698  0.0000  0.3388  1
]