data_[Sc2U4Mn18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.1407]
_cell_length_b [8.1407]
_cell_length_c [5.0623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [ScU2Mn9]
_chemical_formula_sum '[Sc2 U4 Mn18]'
_cell_volume [335.4817]
_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
[
  Sc  Sc0  2  0.0000  0.0000  0.0000  1
  U  U1  4  0.1139  0.3861  0.0000  1
  Mn  Mn2  8  0.0672  0.2028  0.5000  1
  Mn  Mn3  8  0.1850  0.6850  0.2480  1
  Mn  Mn4  2  0.0000  0.5000  0.5000  1
]