data_[Dy2Pa4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5530]
_cell_length_b [5.1426]
_cell_length_c [8.7887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy(PaS3)2]
_chemical_formula_sum '[Dy2 Pa4 S12]'
_cell_volume [495.6597]
_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
[
  Dy  Dy0  2  0.0000  0.0000  0.5000  1
  Pa  Pa1  4  0.1850  0.0000  0.1142  1
  S  S2  4  0.0344  0.0000  0.2178  1
  S  S3  4  0.1278  0.5000  0.5499  1
  S  S4  4  0.2460  0.5000  0.1301  1
]