data_[Np4Cu4As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [11.8982]
_cell_length_b [5.6639]
_cell_length_c [5.6009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [NpCuAs3]
_chemical_formula_sum '[Np4 Cu4 As12]'
_cell_volume [377.4491]
_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  0.3089  0.0072  0.2500  1
  Cu  Cu1  4  0.0942  0.7500  0.0000  1
  As  As2  4  0.0706  0.1206  0.2500  1
  As  As3  4  0.2468  0.5075  0.2500  1
  As  As4  4  0.4984  0.7500  0.0000  1
]