data_[U12Mn6Co6Si36]
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
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7544]
_cell_length_b [5.7544]
_cell_length_c [33.2654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [U2MnCoSi6]
_chemical_formula_sum '[U12 Mn6 Co6 Si36]'
_cell_volume [953.9419]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1173  1
  U  U1  6  0.0000  0.0000  0.2910  1
  Mn  Mn2  3  -0.0000  -0.0000  0.5000  1
  Mn  Mn3  3  0.0000  0.0000  0.0000  1
  Co  Co4  6  0.0000  0.0000  0.4251  1
  Si  Si5  18  0.0511  0.5255  0.2956  1
  Si  Si6  18  0.0572  0.5286  0.8713  1
]