data_[Al2Cr1Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6956]
_cell_length_b [4.3430]
_cell_length_c [4.9154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Al2CrMo]
_chemical_formula_sum '[Al2 Cr1 Mo1]'
_cell_volume [57.1322]
_cell_formula_units_Z [1]
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  1  0.8075  0.5000  0.2685  1
  Al  Al1  1  0.9228  0.0000  0.9854  1
  Cr  Cr2  1  0.4632  0.0000  0.4923  1
  Mo  Mo3  1  0.3065  0.5000  0.7538  1
]