data_[K1Np1Cu2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Np  1.3600  1.7500  1.0000
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.6160]
_cell_length_b [7.6160]
_cell_length_c [8.9987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [KNp(CuBr4)2]
_chemical_formula_sum '[K1 Np1 Cu2 Br8]'
_cell_volume [452.0319]
_cell_formula_units_Z [1]
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
[
  K  K0  1  0.0000  0.0000  0.5000  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  2  0.3333  0.6667  0.6892  1
  Br  Br3  6  0.1654  0.3309  0.8164  1
  Br  Br4  2  0.3333  0.6667  0.4360  1
]