data_[Np6Pa3Mn3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8205]
_cell_length_b [6.8205]
_cell_length_c [18.1838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Np2PaMnS6]
_chemical_formula_sum '[Np6 Pa3 Mn3 S18]'
_cell_volume [732.5702]
_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
[
  Np  Np0  3  0.0000  0.0000  0.4839  1
  Np  Np1  3  0.0000  0.0000  0.9809  1
  Pa  Pa2  3  0.0000  0.0000  0.1769  1
  Mn  Mn3  3  0.0000  0.0000  0.6773  1
  S  S4  9  0.0402  0.3439  0.7514  1
  S  S5  9  0.0524  0.6978  0.2551  1
]