data_[Na4U2Mn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [C2/m]
_cell_length_a [5.8877]
_cell_length_b [10.0624]
_cell_length_c [7.1977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2U(MnS3)2]
_chemical_formula_sum '[Na4 U2 Mn4 S12]'
_cell_volume [416.8196]
_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
[
  Na  Na0  4  0.0000  0.1672  0.0000  1
  U  U1  2  0.0000  0.0000  0.5000  1
  Mn  Mn2  4  0.0000  0.3582  0.5000  1
  S  S3  8  0.2371  0.1865  0.6927  1
  S  S4  4  0.1931  0.5000  0.7213  1
]