data_[Cr16Ga12Mo8C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8578]
_cell_length_b [5.1075]
_cell_length_c [12.9475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cr4Ga3Mo2C3]
_chemical_formula_sum '[Cr16 Ga12 Mo8 C12]'
_cell_volume [570.5497]
_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  8  0.1102  0.0863  0.5816  1
  Cr  Cr1  8  0.2247  0.0821  0.9184  1
  Ga  Ga2  8  0.1864  0.3971  0.7502  1
  Ga  Ga3  4  0.0000  0.0446  0.2500  1
  Mo  Mo4  8  0.0507  0.4179  0.4050  1
  C  C5  8  0.0862  0.2415  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]