data_[Mn8Nb16Cu12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2087]
_cell_length_b [5.3061]
_cell_length_c [14.1968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2Nb4(CuC)3]
_chemical_formula_sum '[Mn8 Nb16 Cu12 C12]'
_cell_volume [676.8306]
_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  0.0522  0.4206  0.4164  1
  Nb  Nb1  8  0.1130  0.0877  0.5869  1
  Nb  Nb2  8  0.2224  0.0817  0.9130  1
  Cu  Cu3  8  0.2312  0.6420  0.2507  1
  Cu  Cu4  4  0.0000  0.0639  0.7500  1
  C  C5  8  0.0815  0.2556  0.0005  1
  C  C6  4  0.2500  0.2500  0.5000  1
]