data_[Fe11Mo1C4]
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 [P1]
_cell_length_a [4.5268]
_cell_length_b [5.0506]
_cell_length_c [6.8442]
_cell_angle_alpha [89.6020]
_cell_angle_beta [89.9673]
_cell_angle_gamma [89.3790]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Fe11MoC4]
_chemical_formula_sum '[Fe11 Mo1 C4]'
_cell_volume [156.4659]
_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
[
  Fe  Fe0  1  0.1654  0.6757  0.4342  1.0
  Fe  Fe1  1  0.1660  0.9617  0.7555  1.0
  Fe  Fe2  1  0.1782  0.6846  0.0737  1.0
  Fe  Fe3  1  0.3292  0.1773  0.4375  1.0
  Fe  Fe4  1  0.3340  0.4602  0.7505  1.0
  Fe  Fe5  1  0.3351  0.1742  0.0815  1.0
  Fe  Fe6  1  0.6636  0.5418  0.2517  1.0
  Fe  Fe7  1  0.6636  0.8188  0.5645  1.0
  Fe  Fe8  1  0.6702  0.8240  0.9241  1.0
  Fe  Fe9  1  0.8303  0.3236  0.5612  1.0
  Fe  Fe10  1  0.8322  0.0335  0.2539  1.0
  Mo  Mo11  1  0.8348  0.3185  0.9379  1.0
  C  C12  1  0.0623  0.3779  0.2547  1.0
  C  C13  1  0.4365  0.8782  0.2604  1.0
  C  C14  1  0.5545  0.1186  0.7290  1.0
  C  C15  1  0.9440  0.6314  0.7298  1.0
]