data_[Y3Cr6Mo3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [5.3953]
_cell_length_b [5.3953]
_cell_length_c [14.0759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [YCr2MoO6]
_chemical_formula_sum '[Y3 Cr6 Mo3 O18]'
_cell_volume [354.8472]
_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
[
  Y  Y0  3  0.0000  0.0000  0.7970  1.0
  Cr  Cr1  3  0.0000  0.0000  0.0128  1.0
  Cr  Cr2  3  0.0000  0.0000  0.5196  1.0
  Mo  Mo3  3  0.0000  0.0000  0.3137  1.0
  O  O4  9  0.0508  0.3499  0.5875  1.0
  O  O5  9  0.0706  0.7179  0.0854  1.0
]