data_[Pm12C4S6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2184]
_cell_length_b [3.8848]
_cell_length_c [8.0682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6C2S3Cl]
_chemical_formula_sum '[Pm12 C4 S6 Cl2]'
_cell_volume [526.4799]
_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  0.0184  0.0000  0.2751  1
  Pm  Pm1  4  0.1745  0.5000  0.5663  1
  Pm  Pm2  4  0.1757  0.5000  0.1246  1
  C  C3  4  0.1679  0.0000  0.3321  1
  S  S4  4  0.1593  0.0000  0.8372  1
  S  S5  2  0.0000  0.5000  0.5000  1
  Cl  Cl6  2  0.0000  0.5000  0.0000  1
]