data_[Al3Cr6Mo3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.1188]
_cell_length_b [5.1188]
_cell_length_c [13.8176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [AlCr2MoO6]
_chemical_formula_sum '[Al3 Cr6 Mo3 O18]'
_cell_volume [313.5404]
_cell_formula_units_Z [3]
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
[
  Al  Al0  3  0.0000  0.0000  0.6830  1
  Cr  Cr1  3  0.0000  0.0000  0.4838  1
  Cr  Cr2  3  0.0000  0.0000  0.9863  1
  Mo  Mo3  3  0.0000  0.0000  0.1829  1
  O  O4  9  0.0118  0.7164  0.5877  1
  O  O5  9  0.0174  0.3393  0.7464  1
]