data_[Pm12Ag6Te6S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2652]
_cell_length_b [8.2652]
_cell_length_c [20.4593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm2AgTeS3]
_chemical_formula_sum '[Pm12 Ag6 Te6 S18]'
_cell_volume [1210.3842]
_cell_formula_units_Z [6]
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  9  0.0000  0.5000  0.5000  1
  Pm  Pm1  3  0.0000  0.0000  0.0000  1
  Ag  Ag2  6  0.0000  0.0000  0.4041  1
  Te  Te3  6  0.0000  0.0000  0.2662  1
  S  S4  18  0.0254  0.5127  0.7553  1
]