data_[Ca4U4Ti8O28]
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
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.1319]
_cell_length_b [7.3195]
_cell_length_c [10.2316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CaUTi2O7]
_chemical_formula_sum '[Ca4 U4 Ti8 O28]'
_cell_volume [534.1134]
_cell_formula_units_Z [4]
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  0.2500  0.2500  0.7500  1
  U  U1  4  0.0000  0.0000  0.0000  1
  Ti  Ti2  4  0.0000  0.0000  0.5000  1
  Ti  Ti3  4  0.2500  0.2500  0.2500  1
  O  O4  16  0.2112  0.0503  0.3782  1
  O  O5  4  0.0000  0.2500  0.1692  1
  O  O6  4  0.0000  0.2500  0.5715  1
  O  O7  4  0.0000  0.2500  0.8864  1
]