data_[Ca4Ce2Mo2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [P2_1/c]
_cell_length_a [5.7010]
_cell_length_b [5.9023]
_cell_length_c [9.9873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2CeMoO6]
_chemical_formula_sum '[Ca4 Ce2 Mo2 O12]'
_cell_volume [276.2176]
_cell_formula_units_Z [2]
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
[
  Ca  Ca0  4  0.2291  0.5520  0.7468  1
  Ce  Ce1  2  0.0000  0.0000  0.5000  1
  Mo  Mo2  2  0.5000  0.0000  0.0000  1
  O  O3  4  0.1400  0.6958  0.4391  1
  O  O4  4  0.2503  0.2138  0.4321  1
  O  O5  4  0.3823  0.5521  0.2651  1
]