data_[Te4Mo20O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.2838]
_cell_length_b [14.8333]
_cell_length_c [8.2071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7872]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TeMo5O16]
_chemical_formula_sum '[Te4 Mo20 O64]'
_cell_volume [1251.8059]
_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
[
  Te  Te0  4  0.0227  0.1619  0.7140  1
  Mo  Mo1  4  0.0009  0.6121  0.2573  1
  Mo  Mo2  4  0.3071  0.7452  0.7999  1
  Mo  Mo3  4  0.3153  0.5001  0.7067  1
  Mo  Mo4  4  0.3291  0.5024  0.2048  1
  Mo  Mo5  4  0.3348  0.2473  0.7757  1
  O  O6  4  0.0082  0.6116  0.4687  1
  O  O7  4  0.0119  0.1534  0.4894  1
  O  O8  4  0.1116  0.7339  0.2643  1
  O  O9  4  0.1322  0.2288  0.2301  1
  O  O10  4  0.1326  0.5334  0.2107  1
  O  O11  4  0.1372  0.0363  0.2749  1
  O  O12  4  0.2530  0.6220  0.7584  1
  O  O13  4  0.2568  0.1238  0.7309  1
  O  O14  4  0.2985  0.0009  0.9956  1
  O  O15  4  0.3114  0.7472  0.5118  1
  O  O16  4  0.3274  0.2447  0.9880  1
  O  O17  4  0.3432  0.0001  0.4931  1
  O  O18  4  0.3470  0.6243  0.2458  1
  O  O19  4  0.3564  0.1311  0.2458  1
  O  O20  4  0.4944  0.0295  0.7709  1
  O  O21  4  0.4965  0.7145  0.7605  1
]