data_[U2Mn4Ru2]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1772]
_cell_length_b [6.2214]
_cell_length_c [4.8949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [UMn2Ru]
_chemical_formula_sum '[U2 Mn4 Ru2]'
_cell_volume [122.3974]
_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  0.3857  0.7500  0.8096  1
  Mn  Mn1  4  0.0569  0.5545  0.2116  1
  Ru  Ru2  2  0.3556  0.2500  0.5694  1
]