data_[Mg4U12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.1597]
_cell_length_b [13.7294]
_cell_length_c [6.9291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg(USe2)3]
_chemical_formula_sum '[Mg4 U12 Se24]'
_cell_volume [1061.6485]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  4  0.0000  0.1981  0.0131  1
  U  U1  8  0.1780  0.0989  0.4823  1
  U  U2  4  0.0000  0.4014  0.3815  1
  Se  Se3  8  0.1626  0.4645  0.6814  1
  Se  Se4  8  0.1757  0.2702  0.2122  1
  Se  Se5  4  0.0000  0.0294  0.1903  1
  Se  Se6  4  0.0000  0.2280  0.6487  1
]