data_[La4Mn4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0630]
_cell_length_b [5.3138]
_cell_length_c [9.3533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.2385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaMnN3]
_chemical_formula_sum '[La4 Mn4 N12]'
_cell_volume [267.9746]
_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
[
  La  La0  4  0.2665  0.7347  0.6262  1.0
  Mn  Mn1  4  0.1656  0.2416  0.8591  1.0
  N  N2  4  0.1250  0.5888  0.3008  1.0
  N  N3  4  0.2230  0.2427  0.0726  1.0
  N  N4  4  0.4409  0.0779  0.4311  1.0
]