data_[Al2Cr2]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.6086]
_cell_length_b [4.1754]
_cell_length_c [4.8517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0729]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AlCr]
_chemical_formula_sum '[Al2 Cr2]'
_cell_volume [52.3198]
_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  0.4058  0.2500  0.1434  1.0
  Cr  Cr1  2  0.0731  0.7500  0.3788  1.0
]