data_[Sr4Li4Mn4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [C2/c]
_cell_length_a [5.4706]
_cell_length_b [9.9945]
_cell_length_c [5.2562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrLiMnN3]
_chemical_formula_sum '[Sr4 Li4 Mn4 N12]'
_cell_volume [286.2184]
_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
[
  Sr  Sr0  4  0.0000  0.2590  0.7500  1
  Li  Li1  4  0.0000  0.4362  0.2500  1
  Mn  Mn2  4  0.0000  0.0612  0.2500  1
  N  N3  8  0.2202  0.0167  0.9920  1
  N  N4  4  0.0000  0.2297  0.2500  1
]