data_[Ca2Np4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Np  1.3600  1.7500  1.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2245]
_cell_length_b [8.3693]
_cell_length_c [7.9922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(NpBr4)2]
_chemical_formula_sum '[Ca2 Np4 Br16]'
_cell_volume [856.0911]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  Np  Np1  4  0.1262  0.0000  0.5650  1
  Br  Br2  8  0.0299  0.2196  0.7358  1
  Br  Br3  4  0.1796  0.5000  0.1571  1
  Br  Br4  4  0.2107  0.0000  0.2959  1
]