data_[Er4Mg6Np2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Np  1.3600  1.7500  1.0000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7958]
_cell_length_b [10.0645]
_cell_length_c [5.5495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2Mg3NpN6]
_chemical_formula_sum '[Er4 Mg6 Np2 N12]'
_cell_volume [303.5615]
_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
[
  Er  Er0  4  0.0000  0.3327  0.0000  1
  Mg  Mg1  4  0.0000  0.1622  0.5000  1
  Mg  Mg2  2  0.0000  0.5000  0.5000  1
  Np  Np3  2  0.0000  0.0000  0.0000  1
  N  N4  8  0.2372  0.1563  0.2440  1
  N  N5  4  0.2325  0.0000  0.7675  1
]