data_[Al2Sb4Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sb  2.0500  1.4500  0.8300
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4968]
_cell_length_b [3.6635]
_cell_length_c [9.9454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AlSb2Mo]
_chemical_formula_sum '[Al2 Sb4 Mo2]'
_cell_volume [163.8413]
_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  2  0.0000  0.0000  0.3015  1
  Sb  Sb1  2  0.0000  0.0000  0.0269  1
  Sb  Sb2  2  0.5000  0.0000  0.7309  1
  Mo  Mo3  2  0.5000  0.0000  0.4423  1
]