data_[Ba2La1Np1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  Np  1.3600  1.7500  1.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3849]
_cell_length_b [3.6945]
_cell_length_c [6.7519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba2LaNpN4]
_chemical_formula_sum '[Ba2 La1 Np1 N4]'
_cell_volume [150.7980]
_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  0.5000  0.5000  1
  Ba  Ba1  1  0.5000  0.0000  0.5000  1
  La  La2  1  0.5000  0.5000  0.0000  1
  Np  Np3  1  0.0000  0.0000  0.0000  1
  N  N4  2  0.1995  0.5000  0.1786  1
  N  N5  2  0.2175  0.0000  0.8254  1
]