data_[Li2Mn6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [4.9253]
_cell_length_b [8.1643]
_cell_length_c [18.0272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li(MnN)3]
_chemical_formula_sum '[Li2 Mn6 N6]'
_cell_volume [724.9009]
_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
[
  Li  Li0  2  0.4020  0.5000  0.4068  1
  Mn  Mn1  4  0.1937  0.3375  0.5211  1
  Mn  Mn2  2  0.2225  0.0000  0.5216  1
  N  N3  4  0.0258  0.1652  0.4774  1
  N  N4  2  0.0452  0.5000  0.5747  1
]