data_[Mn1P1C1Se1N1]
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
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.1441]
_cell_length_b [2.7725]
_cell_length_c [5.8071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnPCSeN]
_chemical_formula_sum '[Mn1 P1 C1 Se1 N1]'
_cell_volume [76.9418]
_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  0.9499  0.0000  0.9675  1
  P  P1  1  0.5691  0.5000  0.2388  1
  C  C2  1  0.2174  0.5000  0.0579  1
  Se  Se3  1  0.5458  0.5000  0.6524  1
  N  N4  1  0.7400  0.0000  0.2181  1
]