data_[Ca2U2Mn2O12]
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
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.9126]
_cell_length_b [4.9126]
_cell_length_c [9.7631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CaUMnO6]
_chemical_formula_sum '[Ca2 U2 Mn2 O12]'
_cell_volume [235.6196]
_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  2  0.0000  0.0000  0.0042  1
  U  U1  2  0.0000  0.0000  0.6674  1
  Mn  Mn2  2  0.0000  0.0000  0.3324  1
  O  O3  4  0.1729  0.8271  0.4906  1
  O  O4  4  0.1990  0.8010  0.1909  1
  O  O5  4  0.2145  0.7855  0.8165  1
]