data_[Pm12Pd2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0422]
_cell_length_b [12.1711]
_cell_length_c [7.0347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6PdS5]
_chemical_formula_sum '[Pm12 Pd2 S10]'
_cell_volume [568.3757]
_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  0.2466  0.3296  0.7477  1
  Pm  Pm1  4  0.2448  0.5000  0.2550  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.0000  0.1668  0.5000  1
  S  S4  4  0.0000  0.3341  0.0000  1
  S  S5  2  0.0000  0.5000  0.5000  1
]