data_[Rb4Np4I4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Np  1.3600  1.7500  1.0000
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.3774]
_cell_length_b [28.4118]
_cell_length_c [7.4932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbNpIBr3]
_chemical_formula_sum '[Rb4 Np4 I4 Br12]'
_cell_volume [1570.6179]
_cell_formula_units_Z [4]
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  0.2515  0.2500  1
  Np  Np1  4  0.0000  0.0351  0.7500  1
  I  I2  4  0.0000  0.2768  0.7500  1
  Br  Br3  8  0.2431  0.5000  0.0000  1
  Br  Br4  4  0.0000  0.1290  0.7500  1
]