data_[Mg6U3In3S18]
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
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.5607]
_cell_length_b [6.5607]
_cell_length_c [17.9650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Mg2UInS6]
_chemical_formula_sum '[Mg6 U3 In3 S18]'
_cell_volume [669.6574]
_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
[
  Mg  Mg0  3  0.0000  0.0000  0.4839  1
  Mg  Mg1  3  0.0000  0.0000  0.9893  1
  U  U2  3  0.0000  0.0000  0.6773  1
  In  In3  3  0.0000  0.0000  0.1838  1
  S  S4  9  0.0074  0.6952  0.5836  1
  S  S5  9  0.0229  0.3558  0.7511  1
]