data_[Sr4Mn4N8]
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 [P2_1/c]
_cell_length_a [5.9487]
_cell_length_b [7.5417]
_cell_length_c [5.7759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrMnN2]
_chemical_formula_sum '[Sr4 Mn4 N8]'
_cell_volume [236.9369]
_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  0.3197  0.0733  0.6786  1.0
  Mn  Mn1  4  0.1004  0.6344  0.5834  1.0
  N  N2  4  0.1673  0.7083  0.8943  1.0
  N  N3  4  0.2376  0.0839  0.0849  1.0
]