data_[K2Rb6Np4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Np  1.3600  1.7500  1.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2118]
_cell_length_b [4.3362]
_cell_length_c [9.5919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRb3(NpSe3)2]
_chemical_formula_sum '[K2 Rb6 Np4 Se12]'
_cell_volume [804.1892]
_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  0.1549  0.0000  0.8367  1
  K  K1  2  0.0000  0.5000  0.0000  1
  Rb  Rb2  2  0.0000  0.5000  0.5000  1
  Np  Np3  4  0.1700  0.0000  0.3363  1
  Se  Se4  4  0.0306  0.0000  0.2633  1
  Se  Se5  4  0.1738  0.5000  0.1429  1
  Se  Se6  4  0.1805  0.5000  0.5469  1
]