data_[Cr6Mo4C4]
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 [C2/m]
_cell_length_a [8.5614]
_cell_length_b [2.8718]
_cell_length_c [6.6528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cr3(MoC)2]
_chemical_formula_sum '[Cr6 Mo4 C4]'
_cell_volume [149.1124]
_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
[
  Cr  Cr0  4  0.1249  0.5000  0.4373  1.0
  Cr  Cr1  2  0.0000  0.5000  0.0000  1.0
  Mo  Mo2  4  0.1617  0.0000  0.7943  1.0
  C  C3  4  0.1459  0.0000  0.2345  1.0
]