data_[Mg2U6C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  U  1.3800  1.7500  0.9913
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2434]
_cell_length_b [3.5553]
_cell_length_c [4.7857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgU3C4]
_chemical_formula_sum '[Mg2 U6 C8]'
_cell_volume [220.2658]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.0000  1
  U  U1  4  0.2070  0.0000  0.1541  1
  U  U2  2  0.0000  0.0000  0.5000  1
  C  C3  4  0.1114  0.5000  0.7217  1
  C  C4  4  0.1330  0.5000  0.4248  1
]