data_[Al6Zn2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7087]
_cell_length_b [5.3172]
_cell_length_c [6.5949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al3ZnMo]
_chemical_formula_sum '[Al6 Zn2 Mo2]'
_cell_volume [155.3644]
_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
[
  Al  Al0  4  0.1917  0.5028  0.3861  1
  Al  Al1  2  0.4333  0.7500  0.7894  1
  Zn  Zn2  2  0.0435  0.7500  0.9903  1
  Mo  Mo3  2  0.3570  0.2500  0.7808  1
]