data_[Na3Ho6Pa3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ho  1.2300  1.7500  1.0410
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9252]
_cell_length_b [6.9252]
_cell_length_c [18.6247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaHo2PaS6]
_chemical_formula_sum '[Na3 Ho6 Pa3 S18]'
_cell_volume [773.5536]
_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
[
  Na  Na0  3  0.0000  0.0000  0.1957  1
  Ho  Ho1  3  0.0000  0.0000  0.4798  1
  Ho  Ho2  3  0.0000  0.0000  0.9909  1
  Pa  Pa3  3  0.0000  0.0000  0.6768  1
  S  S4  9  0.0218  0.3449  0.7475  1
  S  S5  9  0.0280  0.6331  0.2504  1
]