data_[Pm16Ge2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.6883]
_cell_length_b [8.6883]
_cell_length_c [8.6386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pm8GeS5]
_chemical_formula_sum '[Pm16 Ge2 S10]'
_cell_volume [652.1043]
_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  8  0.0617  0.8197  0.1880  1
  Pm  Pm1  8  0.0642  0.6851  0.5594  1
  Ge  Ge2  2  0.0000  0.5000  0.2500  1
  S  S3  8  0.1291  0.7477  0.8757  1
  S  S4  2  0.0000  0.0000  0.5000  1
]