data_[K8Mo4S4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0622]
_cell_length_b [6.2452]
_cell_length_c [7.8655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2MoSO3]
_chemical_formula_sum '[K8 Mo4 S4 O12]'
_cell_volume [603.8305]
_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
[
  K  K0  4  0.0078  0.5000  0.7946  1.0
  K  K1  4  0.1737  0.0000  0.7298  1.0
  Mo  Mo2  4  0.1505  0.0000  0.2084  1.0
  S  S3  4  0.1788  0.5000  0.5875  1.0
  O  O4  8  0.1338  0.2359  0.0721  1.0
  O  O5  4  0.0523  0.0000  0.3203  1.0
]