data_[Pa3Ge9S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6501]
_cell_length_b [6.6501]
_cell_length_c [18.0021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Pa(GeS2)3]
_chemical_formula_sum '[Pa3 Ge9 S18]'
_cell_volume [689.4516]
_cell_formula_units_Z [3]
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
[
  Pa  Pa0  3  0.0000  0.0000  0.8449  1
  Ge  Ge1  3  0.0000  0.0000  0.1521  1
  Ge  Ge2  3  0.0000  0.0000  0.3472  1
  Ge  Ge3  3  0.0000  0.0000  0.6501  1
  S  S4  9  0.0053  0.6897  0.7508  1
  S  S5  9  0.0234  0.3567  0.9178  1
]