data_[U3Mn9S18]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.3360]
_cell_length_b [6.3360]
_cell_length_c [17.5704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [U(MnS2)3]
_chemical_formula_sum '[U3 Mn9 S18]'
_cell_volume [610.8550]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.8431  1
  Mn  Mn1  3  0.0000  0.0000  0.1558  1
  Mn  Mn2  3  0.0000  0.0000  0.3453  1
  Mn  Mn3  3  0.0000  0.0000  0.6540  1
  S  S4  9  0.0035  0.6844  0.7476  1
  S  S5  9  0.0123  0.3134  0.2530  1
]