data_[Er12U4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  U  1.3800  1.7500  0.9913
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.5279]
_cell_length_b [10.6966]
_cell_length_c [7.6410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Er3UO7]
_chemical_formula_sum '[Er12 U4 O28]'
_cell_volume [615.2814]
_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
[
  Er  Er0  8  0.2317  0.2377  0.7500  1
  Er  Er1  4  0.0000  0.5000  0.0000  1
  U  U2  4  0.0000  0.0000  0.0000  1
  O  O3  16  0.2131  0.1257  0.0306  1
  O  O4  4  0.0000  0.0983  0.7500  1
  O  O5  4  0.0000  0.3655  0.2500  1
  O  O6  4  0.0000  0.3669  0.7500  1
]