data_[Mo4P4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cc]
_cell_length_a [7.5098]
_cell_length_b [7.4020]
_cell_length_c [7.4965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4598]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [MoPO5]
_chemical_formula_sum '[Mo4 P4 O20]'
_cell_volume [366.3542]
_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
[
  Mo  Mo0  4  0.0042  0.2357  0.0050  1.0
  P  P1  4  0.2193  0.3741  0.7220  1.0
  O  O2  4  0.0574  0.4965  0.5577  1.0
  O  O3  4  0.1201  0.2449  0.8106  1.0
  O  O4  4  0.2248  0.1751  0.2244  1.0
  O  O5  4  0.3170  0.2493  0.6275  1.0
  O  O6  4  0.3842  0.4913  0.8904  1.0
]