data_[Mn2Cr4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.1579]
_cell_length_b [20.2748]
_cell_length_c [5.4953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [MnCr2N3]
_chemical_formula_sum '[Mn2 Cr4 N6]'
_cell_volume [351.8367]
_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  0.0000  0.4875  0.3947  1
  Cr  Cr1  2  0.0000  0.3990  0.7421  1
  Cr  Cr2  2  0.0000  0.5940  0.7033  1
  N  N3  2  0.0000  0.3899  0.3876  1
  N  N4  2  0.0000  0.4965  0.7291  1
  N  N5  2  0.0000  0.6301  0.3945  1
]