data_[Li6Mn2Mo4N12]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.0788]
_cell_length_b [8.7957]
_cell_length_c [5.3859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Mn(MoN3)2]
_chemical_formula_sum '[Li6 Mn2 Mo4 N12]'
_cell_volume [228.4539]
_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  4  0.0000  0.1642  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Mn  Mn2  2  0.0000  0.0000  0.0000  1
  Mo  Mo3  4  0.0000  0.3333  0.0000  1
  N  N4  8  0.2384  0.1637  0.2245  1
  N  N5  4  0.2474  0.5000  0.2242  1
]