data_[K4Zr2Np4Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5570]
_cell_length_b [13.0218]
_cell_length_c [8.8594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Zr(NpTe3)2]
_chemical_formula_sum '[K4 Zr2 Np4 Te12]'
_cell_volume [833.5220]
_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  0.1702  0.0000  1
  Zr  Zr1  2  0.0000  0.0000  0.5000  1
  Np  Np2  4  0.0000  0.3322  0.5000  1
  Te  Te3  8  0.2323  0.1581  0.7063  1
  Te  Te4  4  0.2500  0.0000  0.2957  1
]