data_[Mg2Al2Cr4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.9838]
_cell_length_b [4.5047]
_cell_length_c [8.6597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [MgAlCr2]
_chemical_formula_sum '[Mg2 Al2 Cr4]'
_cell_volume [116.3953]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.4859  1
  Al  Al1  2  0.0000  0.5000  0.7773  1
  Cr  Cr2  2  0.0000  0.0000  0.0185  1
  Cr  Cr3  2  0.0000  0.5000  0.2183  1
]