data_[K4Sc4Mo4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4704]
_cell_length_b [9.9013]
_cell_length_c [7.6716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KScMoO5]
_chemical_formula_sum '[K4 Sc4 Mo4 O20]'
_cell_volume [520.9834]
_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  0.0000  0.3174  0.7500  1.0
  Sc  Sc1  4  0.0000  0.0000  0.0000  1.0
  Mo  Mo2  4  0.0000  0.3159  0.2500  1.0
  O  O3  8  0.0906  0.2104  0.1116  1.0
  O  O4  8  0.1899  0.4233  0.4055  1.0
  O  O5  4  0.0000  0.0530  0.7500  1.0
]