data_[Cd1Ni1Mo4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [P-6m2]
_cell_length_a [3.0749]
_cell_length_b [3.0749]
_cell_length_c [13.3665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [CdNi(Mo2C)2]
_chemical_formula_sum '[Cd1 Ni1 Mo4 C2]'
_cell_volume [109.4500]
_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
[
  Cd  Cd0  1  0.3333  0.6667  0.5000  1
  Ni  Ni1  1  0.6667  0.3333  0.0000  1
  Mo  Mo2  2  0.3333  0.6667  0.1449  1
  Mo  Mo3  2  0.6667  0.3333  0.3156  1
  C  C4  2  0.0000  0.0000  0.2323  1
]