data_[Na3Er12Np3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0308]
_cell_length_b [8.0308]
_cell_length_c [19.9466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NaEr4NpS8]
_chemical_formula_sum '[Na3 Er12 Np3 S24]'
_cell_volume [1114.0687]
_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  0.3743  1
  Er  Er1  9  0.1725  0.3449  0.8325  1
  Er  Er2  3  0.0000  0.0000  0.6259  1
  Np  Np3  3  0.0000  0.0000  0.0031  1
  S  S4  9  0.0288  0.5144  0.7556  1
  S  S5  9  0.1750  0.3501  0.5785  1
  S  S6  3  0.0000  0.0000  0.2388  1
  S  S7  3  0.0000  0.0000  0.7582  1
]