data_[U2Mn4Ru2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Mn  1.5500  1.4000  0.6483
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6436]
_cell_length_b [6.7371]
_cell_length_c [6.3637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UMn2RuO8]
_chemical_formula_sum '[U2 Mn4 Ru2 O16]'
_cell_volume [284.5350]
_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
[
  U  U0  2  0.0000  0.0000  0.5000  1
  Mn  Mn1  4  0.0035  0.5000  0.7646  1
  Ru  Ru2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.0003  0.1994  0.7599  1
  O  O4  4  0.1943  0.5000  0.4866  1
  O  O5  4  0.2073  0.5000  0.9906  1
]