data_[Y16Ni12Mo8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  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 [9.8816]
_cell_length_b [5.7292]
_cell_length_c [13.9737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Ni3Mo2C3]
_chemical_formula_sum '[Y16 Ni12 Mo8 C12]'
_cell_volume [767.4449]
_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  0.0435  0.0786  0.3795  1
  Y  Y1  8  0.2235  0.4077  0.9000  1
  Ni  Ni2  8  0.2455  0.3409  0.2504  1
  Ni  Ni3  4  0.0000  0.4043  0.7500  1
  Mo  Mo4  8  0.1161  0.4051  0.5754  1
  C  C5  8  0.0689  0.2738  0.0002  1
  C  C6  4  0.2500  0.2500  0.5000  1
]