data_[Np4Ni4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [4.1273]
_cell_length_b [8.0096]
_cell_length_c [6.1815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NpNiAs]
_chemical_formula_sum '[Np4 Ni4 As4]'
_cell_volume [204.3470]
_cell_formula_units_Z [4]
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  0.2419  0.5480  1
  Np  Np1  2  0.0000  0.2486  0.9259  1
  Ni  Ni2  2  0.0000  0.6071  0.8108  1
  Ni  Ni3  2  0.0000  0.9693  0.2902  1
  As  As4  2  0.0000  0.5359  0.2162  1
  As  As5  2  0.0000  0.8925  0.7089  1
]