data_[Ca4U2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  U  1.3800  1.7500  0.9913
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5207]
_cell_length_b [11.9280]
_cell_length_c [7.1531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2UCl8]
_chemical_formula_sum '[Ca4 U2 Cl16]'
_cell_volume [632.0558]
_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
[
  Ca  Ca0  4  0.0000  0.3088  0.0000  1
  U  U1  2  0.0000  0.0000  0.5000  1
  Cl  Cl2  8  0.2117  0.1392  0.1599  1
  Cl  Cl3  4  0.0000  0.2099  0.5000  1
  Cl  Cl4  4  0.1808  0.5000  0.2719  1
]