data_[Np6As2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9880]
_cell_length_b [9.1623]
_cell_length_c [5.1639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Np3AsC]
_chemical_formula_sum '[Np6 As2 C2]'
_cell_volume [182.2627]
_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  4  0.1189  0.0540  0.2244  1
  Np  Np1  2  0.3298  0.2500  0.9905  1
  As  As2  2  0.2715  0.7500  0.4637  1
  C  C3  2  0.5000  0.0000  0.0000  1
]