data_[Sr6Mn12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3363]
_cell_length_b [9.0553]
_cell_length_c [5.8804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(MnN)2]
_chemical_formula_sum '[Sr6 Mn12 N12]'
_cell_volume [389.7261]
_cell_formula_units_Z [6]
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  0.3017  0.5000  1
  Sr  Sr1  2  0.0000  0.5000  0.0000  1
  Mn  Mn2  8  0.1603  0.1451  0.0939  1
  Mn  Mn3  4  0.1199  0.0000  0.6984  1
  N  N4  8  0.2473  0.3260  0.2038  1
  N  N5  4  0.1621  0.0000  0.3390  1
]