data_[Zr2U4Cr4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  U  1.3800  1.7500  0.9913
  Cr  1.6600  1.4000  0.9400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7569]
_cell_length_b [3.1702]
_cell_length_c [5.8822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1980]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrU2(CrC2)2]
_chemical_formula_sum '[Zr2 U4 Cr4 C8]'
_cell_volume [228.4429]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.0000  1
  U  U1  4  0.1265  0.0000  0.5372  1
  Cr  Cr2  4  0.1813  0.5000  0.0100  1
  C  C3  4  0.0409  0.5000  0.7448  1
  C  C4  4  0.2280  0.0000  0.2279  1
]