data_[Ba1Np1Cu2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Np  1.3600  1.7500  1.0000
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.2900]
_cell_length_b [6.2900]
_cell_length_c [9.3862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [BaNp(CuCl4)2]
_chemical_formula_sum '[Ba1 Np1 Cu2 Cl8]'
_cell_volume [321.6063]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.0000  0.0000  0.0000  1
  Np  Np1  1  0.0000  0.0000  0.5000  1
  Cu  Cu2  2  0.3333  0.6667  0.7645  1
  Cl  Cl3  6  0.0088  0.6824  0.3200  1
  Cl  Cl4  2  0.3333  0.6667  0.0025  1
]