data_[K2Mg2Al2W2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.1386]
_cell_length_b [6.2022]
_cell_length_c [12.0851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [KMgAlWS6]
_chemical_formula_sum '[K2 Mg2 Al2 W2 S12]'
_cell_volume [456.5870]
_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
[
  K  K0  2  0.2166  0.2716  0.0164  1
  Mg  Mg1  2  0.2682  0.7411  0.6709  1
  Al  Al2  2  0.2205  0.2284  0.5051  1
  W  W3  2  0.2108  0.7546  0.2473  1
  S  S4  2  0.0503  0.4309  0.2313  1
  S  S5  2  0.1100  0.4397  0.7738  1
  S  S6  2  0.1266  0.5992  0.4847  1
  S  S7  2  0.3204  0.7891  0.0803  1
  S  S8  2  0.3665  0.0717  0.3598  1
  S  S9  2  0.4297  0.1071  0.6625  1
]