data_[Y8Cu12Mo16C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [9.4429]
_cell_length_b [5.4626]
_cell_length_c [13.8019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Cu3Mo4C3]
_chemical_formula_sum '[Y8 Cu12 Mo16 C12]'
_cell_volume [690.9005]
_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
[
  Y  Y0  8  0.0377  0.5816  0.8770  1
  Cu  Cu1  8  0.2480  0.3394  0.7527  1
  Cu  Cu2  4  0.0000  0.0822  0.7500  1
  Mo  Mo3  8  0.1112  0.0972  0.5799  1
  Mo  Mo4  8  0.2292  0.0774  0.9201  1
  C  C5  8  0.0868  0.2395  0.9997  1
  C  C6  4  0.2500  0.2500  0.5000  1
]