data_[Mn1Ni1P1Se1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.7701]
_cell_length_b [4.7775]
_cell_length_c [5.0047]
_cell_angle_alpha [104.5291]
_cell_angle_beta [99.3026]
_cell_angle_gamma [90.0124]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnNiPSeN]
_chemical_formula_sum '[Mn1 Ni1 P1 Se1 N1]'
_cell_volume [63.2135]
_cell_formula_units_Z [1]
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  1  0.4557  0.2791  0.4276  1
  Ni  Ni1  1  0.6324  0.8552  0.9579  1
  P  P2  1  0.0195  0.7331  0.5777  1
  Se  Se3  1  0.5471  0.3563  0.9551  1
  N  N4  1  0.9378  0.9794  0.3779  1
]