data_[Al3Cr9Si3Mo9]
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
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.7504]
_cell_length_b [6.7504]
_cell_length_c [8.2726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [AlCr3SiMo3]
_chemical_formula_sum '[Al3 Cr9 Si3 Mo9]'
_cell_volume [326.4652]
_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  0.4924  1.0
  Cr  Cr1  9  0.0824  0.6674  0.9158  1.0
  Si  Si2  3  0.0000  0.0000  0.0075  1.0
  Mo  Mo3  9  0.0028  0.2512  0.7509  1.0
]