data_[Pm12Ir6S4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ir  2.2000  1.3500  0.7650
  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 [18.5615]
_cell_length_b [4.0260]
_cell_length_c [8.5735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6Ir3S2Cl]
_chemical_formula_sum '[Pm12 Ir6 S4 Cl2]'
_cell_volume [607.5743]
_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  0.0006  0.0000  0.2729  1
  Pm  Pm1  4  0.1651  0.5000  0.5850  1
  Pm  Pm2  4  0.1787  0.5000  0.0738  1
  Ir  Ir3  4  0.1619  0.0000  0.8227  1
  Ir  Ir4  2  0.0000  0.5000  0.5000  1
  S  S5  4  0.1660  0.0000  0.3247  1
  Cl  Cl6  2  0.0000  0.5000  0.0000  1
]