data_[Np2Tc2As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Tc  1.9000  1.3500  0.7417
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6821]
_cell_length_b [6.7179]
_cell_length_c [6.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NpTcAs4]
_chemical_formula_sum '[Np2 Tc2 As8]'
_cell_volume [258.3466]
_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  0.0000  0.0000  0.0000  1
  Tc  Tc1  2  0.5000  0.0000  0.5000  1
  As  As2  4  0.1502  0.1077  0.5135  1
  As  As3  4  0.4428  0.6422  0.6048  1
]