data_[Cr4Mo4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.5881]
_cell_length_b [5.0718]
_cell_length_c [7.2059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CrMoC]
_chemical_formula_sum '[Cr4 Mo4 C4]'
_cell_volume [135.5761]
_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
[
  Cr  Cr0  4  0.3732  0.5794  0.1196  1.0
  Mo  Mo1  4  0.1204  0.0809  0.8775  1.0
  C  C2  4  0.3861  0.7442  0.8738  1.0
]