data_[Mn16Cr8Cu12N12]
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
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3457]
_cell_length_b [4.7591]
_cell_length_c [13.3101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn4Cr2(CuN)3]
_chemical_formula_sum '[Mn16 Cr8 Cu12 N12]'
_cell_volume [516.9473]
_cell_formula_units_Z [4]
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  8  0.1137  0.0842  0.0891  1
  Mn  Mn1  8  0.2198  0.0830  0.4106  1
  Cr  Cr2  8  0.0537  0.4146  0.9117  1
  Cu  Cu3  8  0.1645  0.4203  0.2501  1
  Cu  Cu4  4  0.0000  0.0833  0.7500  1
  N  N5  8  0.0829  0.2518  0.4997  1
  N  N6  4  0.2500  0.2500  0.0000  1
]