data_[La2Pa2Mn2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.7218]
_cell_length_b [3.7218]
_cell_length_c [12.7779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [LaPaMnN4]
_chemical_formula_sum '[La2 Pa2 Mn2 N8]'
_cell_volume [176.9955]
_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
[
  La  La0  2  0.0000  0.0000  0.6461  1
  Pa  Pa1  2  0.0000  0.0000  0.3613  1
  Mn  Mn2  2  0.0000  0.0000  0.9868  1
  N  N3  4  0.0000  0.5000  0.4894  1
  N  N4  2  0.0000  0.0000  0.1939  1
  N  N5  2  0.0000  0.0000  0.8331  1
]