data_[Mn8Nb16Ni12C12]
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
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1390]
_cell_length_b [5.2763]
_cell_length_c [12.6014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2Nb4(NiC)3]
_chemical_formula_sum '[Mn8 Nb16 Ni12 C12]'
_cell_volume [589.2998]
_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  0.0642  0.4129  0.4306  1
  Nb  Nb1  8  0.1189  0.0782  0.6079  1
  Nb  Nb2  8  0.2117  0.0867  0.8922  1
  Ni  Ni3  8  0.1338  0.4481  0.7476  1
  Ni  Ni4  4  0.0000  0.1530  0.2500  1
  C  C5  8  0.0816  0.2546  0.0002  1
  C  C6  4  0.2500  0.2500  0.5000  1
]