data_[Y4Th4Np4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
  Np  1.3600  1.7500  1.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1149]
_cell_length_b [3.5091]
_cell_length_c [5.7687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YThNp]
_chemical_formula_sum '[Y4 Th4 Np4]'
_cell_volume [341.6771]
_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
[
  Y  Y0  4  0.0611  0.5000  0.7804  1
  Th  Th1  4  0.1318  0.0000  0.3116  1
  Np  Np2  4  0.2351  0.0000  0.8593  1
]