data_[Ni2Mo2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pm]
_cell_length_a [4.3906]
_cell_length_b [3.0340]
_cell_length_c [5.3407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NiMoC]
_chemical_formula_sum '[Ni2 Mo2 C2]'
_cell_volume [65.5174]
_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
[
  Ni  Ni0  1  0.0316  0.0000  0.7554  1
  Ni  Ni1  1  0.4347  0.5000  0.1546  1
  Mo  Mo2  1  0.5034  0.5000  0.6703  1
  Mo  Mo3  1  0.9712  0.0000  0.2463  1
  C  C4  1  0.5103  0.0000  0.9423  1
  C  C5  1  0.8746  0.5000  0.4940  1
]