data_[Al2Ga2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8139]
_cell_length_b [4.9443]
_cell_length_c [5.0284]
_cell_angle_alpha [63.6022]
_cell_angle_beta [81.7533]
_cell_angle_gamma [60.9366]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlGaMo]
_chemical_formula_sum '[Al2 Ga2 Mo2]'
_cell_volume [93.3037]
_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  0.1118  0.9764  0.7428  1.0
  Ga  Ga1  2  0.4470  0.2868  0.7406  1.0
  Mo  Mo2  2  0.2106  0.3956  0.2184  1.0
]