data_[Na8Pa4Ga4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pa  1.5000  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9876]
_cell_length_b [17.3798]
_cell_length_c [13.3251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2PaGaS5]
_chemical_formula_sum '[Na8 Pa4 Ga4 S20]'
_cell_volume [923.4852]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.0000  0.0779  0.6548  1
  Na  Na1  4  0.0000  0.0943  0.3547  1
  Pa  Pa2  4  0.0000  0.2259  0.0347  1
  Ga  Ga3  4  0.0000  0.4221  0.4151  1
  S  S4  4  0.0000  0.0663  0.0182  1
  S  S5  4  0.0000  0.2818  0.6614  1
  S  S6  4  0.0000  0.2871  0.3951  1
  S  S7  4  0.0000  0.3682  0.0111  1
  S  S8  4  0.0000  0.4915  0.2789  1
]