data_[K1Mg2Np1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Np  1.3600  1.7500  1.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8756]
_cell_length_b [6.9146]
_cell_length_c [9.3433]
_cell_angle_alpha [80.1129]
_cell_angle_beta [81.1656]
_cell_angle_gamma [80.7933]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMg2NpBr8]
_chemical_formula_sum '[K1 Mg2 Np1 Br8]'
_cell_volume [428.3154]
_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
  Mg  Mg1  2  0.4628  0.4496  0.7102  1
  Np  Np2  1  0.0000  0.0000  0.0000  1
  Br  Br3  2  0.1785  0.7255  0.2349  1
  Br  Br4  2  0.2151  0.7680  0.7797  1
  Br  Br5  2  0.3076  0.2490  0.9565  1
  Br  Br6  2  0.3574  0.3000  0.5066  1
]