data_[Rb6Er4Np2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [C2/m]
_cell_length_a [7.0795]
_cell_length_b [12.2464]
_cell_length_c [8.0309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Er2NpS6]
_chemical_formula_sum '[Rb6 Er4 Np2 S12]'
_cell_volume [665.7794]
_cell_formula_units_Z [2]
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
[
  Rb  Rb0  4  0.0000  0.1668  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.5000  1
  Er  Er2  4  0.0000  0.3340  0.0000  1
  Np  Np3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2334  0.1693  0.1910  1
  S  S5  4  0.2249  0.5000  0.1914  1
]