data_[K6Zr4Np2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  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 [6.9912]
_cell_length_b [12.1207]
_cell_length_c [8.1066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Zr2NpSe6]
_chemical_formula_sum '[K6 Zr4 Np2 Se12]'
_cell_volume [657.6710]
_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
[
  K  K0  4  0.0000  0.1637  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Zr  Zr2  4  0.0000  0.3326  0.0000  1
  Np  Np3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2417  0.1731  0.2051  1
  Se  Se5  4  0.2214  0.5000  0.2038  1
]