data_[K4Mo4P4O20]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.0092]
_cell_length_b [9.1794]
_cell_length_c [7.4996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KMoPO5]
_chemical_formula_sum '[K4 Mo4 P4 O20]'
_cell_volume [432.0452]
_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  0.3324  0.7500  1.0
  Mo  Mo1  4  0.0000  0.0000  0.0000  1.0
  P  P2  4  0.0000  0.3123  0.2500  1.0
  O  O3  8  0.0826  0.2166  0.1267  1.0
  O  O4  8  0.1829  0.4140  0.3910  1.0
  O  O5  4  0.0000  0.0538  0.7500  1.0
]