data_[La2Mg4W6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3419]
_cell_length_b [7.5347]
_cell_length_c [7.5722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaMg2W3S8]
_chemical_formula_sum '[La2 Mg4 W6 S16]'
_cell_volume [595.4408]
_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
[
  La  La0  2  0.0000  0.5000  0.5000  1
  Mg  Mg1  4  0.1246  0.0000  0.3814  1
  W  W2  4  0.2500  0.2500  0.0000  1
  W  W3  2  0.0000  0.5000  0.0000  1
  S  S4  8  0.0137  0.2555  0.7918  1
  S  S5  4  0.2358  0.0000  0.1972  1
  S  S6  4  0.2432  0.5000  0.2210  1
]