data_[Np2Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.8845]
_cell_length_b [4.3423]
_cell_length_c [12.5362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NpBiTe3]
_chemical_formula_sum '[Np2 Bi2 Te6]'
_cell_volume [414.8819]
_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
[
  Np  Np0  2  0.2676  0.7500  0.5538  1
  Bi  Bi1  2  0.1273  0.7500  0.1475  1
  Te  Te2  2  0.0596  0.2500  0.6460  1
  Te  Te3  2  0.2570  0.2500  0.0235  1
  Te  Te4  2  0.4428  0.7500  0.3576  1
]