data_[Mo1W1C2]
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 [Pmm2]
_cell_length_a [2.8423]
_cell_length_b [2.9303]
_cell_length_c [5.0617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [MoWC2]
_chemical_formula_sum '[Mo1 W1 C2]'
_cell_volume [42.1580]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.1658  1.0
  W  W1  1  0.5000  0.0000  0.6668  1.0
  C  C2  1  0.0000  0.0000  0.9990  1.0
  C  C3  1  0.0000  0.5000  0.5016  1.0
]