data_[Np3Mn3Cr6S18]
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
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.2857]
_cell_length_b [6.2857]
_cell_length_c [17.0900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NpMn(CrS3)2]
_chemical_formula_sum '[Np3 Mn3 Cr6 S18]'
_cell_volume [584.7658]
_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  0.6839  1
  Mn  Mn1  3  0.0000  0.0000  0.1816  1
  Cr  Cr2  3  0.0000  0.0000  0.4906  1
  Cr  Cr3  3  0.0000  0.0000  0.9886  1
  S  S4  9  0.0092  0.6516  0.2463  1
  S  S5  9  0.0166  0.3879  0.7516  1
]