data_[Pm8Tm2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.1371]
_cell_length_b [3.8968]
_cell_length_c [11.7995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pm4TmS7]
_chemical_formula_sum '[Pm8 Tm2 S14]'
_cell_volume [583.1750]
_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  0.1116  0.0000  0.4247  1
  Pm  Pm1  2  0.1985  0.5000  0.8073  1
  Pm  Pm2  2  0.3010  0.0000  0.1921  1
  Pm  Pm3  2  0.4990  0.5000  0.9972  1
  Tm  Tm4  2  0.3878  0.5000  0.5777  1
  S  S5  2  0.0382  0.0000  0.7781  1
  S  S6  2  0.1597  0.5000  0.0510  1
  S  S7  2  0.2435  0.5000  0.3579  1
  S  S8  2  0.2680  0.0000  0.6467  1
  S  S9  2  0.3383  0.0000  0.9478  1
  S  S10  2  0.4593  0.5000  0.2152  1
  S  S11  2  0.4951  0.0000  0.5044  1
]