data_[U4Pa2Mn18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.1266]
_cell_length_b [8.1266]
_cell_length_c [5.1601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [U2PaMn9]
_chemical_formula_sum '[U4 Pa2 Mn18]'
_cell_volume [340.7773]
_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  4  0.1164  0.3836  0.0000  1
  Pa  Pa1  2  0.0000  0.0000  0.0000  1
  Mn  Mn2  8  0.0687  0.2035  0.5000  1
  Mn  Mn3  8  0.1822  0.6822  0.2529  1
  Mn  Mn4  2  0.0000  0.5000  0.5000  1
]