data_[K4Mo8]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.7256]
_cell_length_b [2.9937]
_cell_length_c [8.7550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KMo2]
_chemical_formula_sum '[K4 Mo8]'
_cell_volume [307.2396]
_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  2  0.0535  0.0000  0.9905  1
  K  K1  2  0.2989  0.0000  0.7041  1
  Mo  Mo2  2  0.0510  0.5000  0.5587  1
  Mo  Mo3  2  0.1713  0.5000  0.3431  1
  Mo  Mo4  2  0.3137  0.0000  0.2021  1
  Mo  Mo5  2  0.4448  0.5000  0.3682  1
]