data_[Np4Ni12As8]
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 [C2/m]
_cell_length_a [14.6930]
_cell_length_b [3.8660]
_cell_length_c [7.1870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpNi3As2]
_chemical_formula_sum '[Np4 Ni12 As8]'
_cell_volume [368.3165]
_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  4  0.1481  0.0000  0.0661  1
  Ni  Ni1  4  0.0458  0.0000  0.3865  1
  Ni  Ni2  4  0.0952  0.5000  0.6687  1
  Ni  Ni3  4  0.1881  0.5000  0.4460  1
  As  As4  4  0.0207  0.5000  0.1929  1
  As  As5  4  0.1947  0.0000  0.6975  1
]