data_[Ca4U2Cu2O12]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5908]
_cell_length_b [5.5729]
_cell_length_c [5.4271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2UCuO6]
_chemical_formula_sum '[Ca4 U2 Cu2 O12]'
_cell_volume [281.4712]
_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  0.2478  0.5000  0.6950  1
  U  U1  2  0.0000  0.5000  0.0000  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.0760  0.2417  0.3374  1
  O  O4  4  0.1999  0.5000  0.0616  1
]