data_[Y16Ga12Mo8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  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 [10.2147]
_cell_length_b [5.9727]
_cell_length_c [14.2268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Ga3Mo2C3]
_chemical_formula_sum '[Y16 Ga12 Mo8 C12]'
_cell_volume [839.3142]
_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  0.1196  0.0717  0.6038  1
  Y  Y1  8  0.2075  0.0893  0.8962  1
  Ga  Ga2  8  0.1249  0.4560  0.7465  1
  Ga  Ga3  4  0.0000  0.1708  0.2500  1
  Mo  Mo4  8  0.0637  0.4118  0.4294  1
  C  C5  8  0.0751  0.2744  0.0002  1
  C  C6  4  0.2500  0.2500  0.5000  1
]