data_[Ba4Sr2Mn2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Pmn2_1]
_cell_length_a [7.8755]
_cell_length_b [7.3461]
_cell_length_c [5.6886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ba2SrMnN4]
_chemical_formula_sum '[Ba4 Sr2 Mn2 N8]'
_cell_volume [329.1081]
_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
[
  Ba  Ba0  4  0.2358  0.6691  0.9578  1
  Sr  Sr1  2  0.0000  0.8866  0.4627  1
  Mn  Mn2  2  0.0000  0.1740  0.0090  1
  N  N3  4  0.1895  0.2842  0.9258  1
  N  N4  2  0.0000  0.1862  0.3160  1
  N  N5  2  0.0000  0.9381  0.9451  1
]