data_[Mn2P2Se2S2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.8838]
_cell_length_b [2.8272]
_cell_length_c [5.4014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnPSeSN]
_chemical_formula_sum '[Mn2 P2 Se2 S2 N2]'
_cell_volume [198.8815]
_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
[
  Mn  Mn0  2  0.1979  0.0000  0.0776  1
  P  P1  2  0.0764  0.5000  0.3824  1
  Se  Se2  2  0.3272  0.5000  0.0553  1
  S  S3  2  0.0825  0.5000  0.8210  1
  N  N4  2  0.1469  0.0000  0.3676  1
]