data_[Np6Mn3S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [9.6290]
_cell_length_b [9.6290]
_cell_length_c [5.8375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Np6Mn3S14]
_chemical_formula_sum '[Np6 Mn3 S14]'
_cell_volume [468.7245]
_cell_formula_units_Z [1]
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  0.0387  0.4792  0.7595  1
  Np  Np1  3  0.2907  0.1857  0.2498  1
  Mn  Mn2  1  0.0000  0.0000  0.8434  1
  Mn  Mn3  1  0.3333  0.6667  0.3504  1
  Mn  Mn4  1  0.6667  0.3333  0.4646  1
  S  S5  3  0.1002  0.2558  0.9938  1
  S  S6  3  0.1823  0.7647  0.4985  1
  S  S7  3  0.4223  0.2328  0.6983  1
  S  S8  3  0.5214  0.0897  0.2231  1
  S  S9  1  0.0000  0.0000  0.4505  1
  S  S10  1  0.3333  0.6667  0.9647  1
]