data_[Mo4W4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7600]
_cell_length_b [5.2416]
_cell_length_c [7.7381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MoWC]
_chemical_formula_sum '[Mo4 W4 C4]'
_cell_volume [151.8459]
_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
[
  Mo  Mo0  4  0.1251  0.5795  0.8748  1.0
  W  W1  4  0.3790  0.0806  0.1208  1.0
  C  C2  4  0.1246  0.7466  0.6223  1.0
]