data_[Ni8Mo4C4]
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 [C2/m]
_cell_length_a [10.7390]
_cell_length_b [3.0886]
_cell_length_c [5.5433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ni2MoC]
_chemical_formula_sum '[Ni8 Mo4 C4]'
_cell_volume [173.6322]
_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
[
  Ni  Ni0  4  0.0387  0.0000  0.3090  1
  Ni  Ni1  4  0.1954  0.5000  0.6053  1
  Mo  Mo2  4  0.1394  0.5000  0.0308  1
  C  C3  4  0.1477  0.0000  0.7689  1
]