data_[Al3Si3Mo3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P3_212]
_cell_length_a [4.7573]
_cell_length_b [4.7573]
_cell_length_c [6.6218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [153]
_chemical_formula_structural [AlSiMo]
_chemical_formula_sum '[Al3 Si3 Mo3]'
_cell_volume [129.7840]
_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  0.1669  0.3337  0.3333  1.0
  Si  Si1  3  0.0098  0.5049  0.0000  1.0
  Mo  Mo2  3  0.3446  0.1723  0.0000  1.0
]