data_[Th4Mg4Np4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Mg  1.3100  1.5000  0.8600
  Np  1.3600  1.7500  1.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7821]
_cell_length_b [3.4367]
_cell_length_c [5.6621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThMgNp]
_chemical_formula_sum '[Th4 Mg4 Np4]'
_cell_volume [313.9566]
_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
[
  Th  Th0  4  0.1067  0.0000  0.2620  1
  Mg  Mg1  4  0.0704  0.5000  0.7391  1
  Np  Np2  4  0.2403  0.0000  0.8462  1
]