data_[Fe2Mo2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7592]
_cell_length_b [2.9265]
_cell_length_c [4.9571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [FeMoC]
_chemical_formula_sum '[Fe2 Mo2 C2]'
_cell_volume [66.2653]
_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
[
  Fe  Fe0  2  0.2344  0.0000  0.7267  1
  Mo  Mo1  2  0.2726  0.5000  0.2439  1
  C  C2  1  0.0000  0.0000  0.0000  1
  C  C3  1  0.0000  0.5000  0.5000  1
]