data_[La4Mn2C4N12]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9645]
_cell_length_b [5.0870]
_cell_length_c [6.0737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Mn(CN3)2]
_chemical_formula_sum '[La4 Mn2 C4 N12]'
_cell_volume [242.6277]
_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  4  0.2148  0.5000  0.1895  1.0
  Mn  Mn1  2  0.0000  0.5000  0.5000  1.0
  C  C2  4  0.0736  0.0000  0.2782  1.0
  N  N3  8  0.0161  0.2321  0.7583  1.0
  N  N4  4  0.2399  0.0000  0.3317  1.0
]