data_[Mn2Cu2C2Se2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  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 [Cm]
_cell_length_a [8.2927]
_cell_length_b [3.9713]
_cell_length_c [5.0302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnCuCSeN]
_chemical_formula_sum '[Mn2 Cu2 C2 Se2 N2]'
_cell_volume [164.6826]
_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  0.0397  0.0000  0.0047  1
  Cu  Cu1  2  0.4679  0.0000  0.6578  1
  C  C2  2  0.0434  0.0000  0.6166  1
  Se  Se3  2  0.3438  0.0000  0.0574  1
  N  N4  2  0.0618  0.0000  0.3798  1
]