data_[Ce4Mo4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [7.0576]
_cell_length_b [11.1371]
_cell_length_c [5.1933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.2710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CeMoO4]
_chemical_formula_sum '[Ce4 Mo4 O16]'
_cell_volume [311.4521]
_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
[
  Ce  Ce0  4  0.0000  0.1370  0.2500  1.0
  Mo  Mo1  4  0.0000  0.4058  0.7500  1.0
  O  O2  8  0.1650  0.2850  0.6621  1.0
  O  O3  8  0.2394  0.4736  0.2232  1.0
]