data_[La2Er1Np1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Np  1.3600  1.7500  1.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.9902]
_cell_length_b [7.5719]
_cell_length_c [5.6197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La2ErNpO8]
_chemical_formula_sum '[La2 Er1 Np1 O8]'
_cell_volume [169.1672]
_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
[
  La  La0  2  0.5000  0.2568  0.5000  1
  Er  Er1  1  0.0000  0.5000  0.0000  1
  Np  Np2  1  0.0000  0.0000  0.0000  1
  O  O3  4  0.0378  0.2214  0.7766  1
  O  O4  2  0.4385  0.0000  0.2127  1
  O  O5  2  0.4813  0.5000  0.2432  1
]