data_[Na2Ca1U1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2/m]
_cell_length_a [6.5230]
_cell_length_b [8.4013]
_cell_length_c [6.6329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2CaUCl8]
_chemical_formula_sum '[Na2 Ca1 U1 Cl8]'
_cell_volume [362.6533]
_cell_formula_units_Z [1]
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
[
  Na  Na0  2  0.5000  0.2651  0.5000  1
  Ca  Ca1  1  0.0000  0.5000  0.0000  1
  U  U2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.1961  0.2329  0.8252  1
  Cl  Cl4  2  0.2828  0.0000  0.3007  1
  Cl  Cl5  2  0.2850  0.5000  0.3020  1
]