data_[Mg6Fe3W9S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.8631]
_cell_length_b [6.8631]
_cell_length_c [18.8600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mg2FeW3S8]
_chemical_formula_sum '[Mg6 Fe3 W9 S24]'
_cell_volume [769.3235]
_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  0.1431  1
  Mg  Mg1  3  0.0000  0.0000  0.9715  1
  Fe  Fe2  3  0.0000  0.0000  0.4711  1
  W  W3  9  0.1998  0.3997  0.3285  1
  S  S4  9  0.0311  0.5156  0.2382  1
  S  S5  9  0.1668  0.3336  0.0650  1
  S  S6  3  0.0000  0.0000  0.2700  1
  S  S7  3  0.0000  0.0000  0.7556  1
]