data_[Sr2Mg2U2H48C6O46]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  U  1.3800  1.7500  0.9913
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2201]
_cell_length_b [14.2539]
_cell_length_c [11.0249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrMgUH24C3O23]
_chemical_formula_sum '[Sr2 Mg2 U2 H48 C6 O46]'
_cell_volume [965.8434]
_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
[
  Sr  Sr0  2  0.1977  0.2500  0.4004  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  U  U2  2  0.4532  0.2500  0.7720  1
  H  H3  4  0.0062  0.6663  0.1135  1
  H  H4  4  0.0765  0.5502  0.6200  1
  H  H5  4  0.1408  0.0374  0.2402  1
  H  H6  4  0.1676  0.0427  0.4408  1
  H  H7  4  0.2131  0.1476  0.9733  1
  H  H8  4  0.3225  0.0032  0.8551  1
  H  H9  4  0.3324  0.5198  0.1926  1
  H  H10  4  0.3677  0.5822  0.9509  1
  H  H11  4  0.4195  0.5932  0.6255  1
  H  H12  4  0.4470  0.6692  0.7346  1
  H  H13  2  0.0525  0.2500  0.1030  1
  H  H14  2  0.1357  0.7500  0.8213  1
  H  H15  2  0.1439  0.7500  0.3943  1
  H  H16  2  0.2752  0.7500  0.5285  1
  C  C17  4  0.3708  0.0780  0.6370  1
  C  C18  2  0.4759  0.7500  0.9610  1
  O  O19  4  0.0531  0.1412  0.9673  1
  O  O20  4  0.0705  0.0729  0.3707  1
  O  O21  4  0.1916  0.0110  0.1650  1
  O  O22  4  0.2588  0.5352  0.9153  1
  O  O23  4  0.3006  0.0057  0.5758  1
  O  O24  4  0.3891  0.1588  0.5861  1
  O  O25  4  0.4272  0.0772  0.7569  1
  O  O26  4  0.4871  0.6539  0.6537  1
  O  O27  4  0.4887  0.1725  0.9746  1
  O  O28  2  0.0244  0.2500  0.1877  1
  O  O29  2  0.1277  0.7500  0.4811  1
  O  O30  2  0.1637  0.2500  0.7678  1
  O  O31  2  0.2556  0.7500  0.2241  1
  O  O32  2  0.4116  0.7500  0.8472  1
]