data_[Mn8Cu12Mo16C12]
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
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9647]
_cell_length_b [5.1707]
_cell_length_c [13.0133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2Cu3Mo4C3]
_chemical_formula_sum '[Mn8 Cu12 Mo16 C12]'
_cell_volume [586.3191]
_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  0.0586  0.4150  0.9207  1
  Cu  Cu1  8  0.1442  0.4349  0.2481  1
  Cu  Cu2  4  0.0000  0.1300  0.7500  1
  Mo  Mo3  8  0.1147  0.0803  0.0920  1
  Mo  Mo4  8  0.2174  0.0857  0.4079  1
  C  C5  8  0.0804  0.2581  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]