data_[Y4Mo4C6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7770]
_cell_length_b [3.3584]
_cell_length_c [5.7456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Mo2C3]
_chemical_formula_sum '[Y4 Mo4 C6]'
_cell_volume [209.7976]
_cell_formula_units_Z [2]
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  4  0.1099  0.5000  0.8246  1.0
  Mo  Mo1  4  0.1579  0.0000  0.3250  1.0
  C  C2  4  0.2481  0.0000  0.7318  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]