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 [4.8105]
_cell_length_b [4.9402]
_cell_length_c [5.0221]
_cell_angle_alpha [63.5999]
_cell_angle_beta [81.6786]
_cell_angle_gamma [60.9085]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AlGaMo]
_chemical_formula_sum '[Al2 Ga2 Mo2]'
_cell_volume [93.0268]
_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  0.9763  0.7429  1
  Ga  Ga1  2  0.4470  0.2867  0.7407  1
  Mo  Mo2  2  0.2109  0.3958  0.2185  1
]