data_[Al8Cr4Si3]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9350]
_cell_length_b [5.1461]
_cell_length_c [8.8595]
_cell_angle_alpha [106.4176]
_cell_angle_beta [90.5387]
_cell_angle_gamma [101.3812]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al8Cr4Si3]
_chemical_formula_sum '[Al8 Cr4 Si3]'
_cell_volume [211.0659]
_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  2  0.0547  0.6718  0.8194  1.0
  Al  Al1  2  0.1766  0.2192  0.8644  1.0
  Al  Al2  2  0.4199  0.1644  0.1230  1.0
  Al  Al3  2  0.4952  0.4028  0.6287  1.0
  Cr  Cr4  2  0.2968  0.6497  0.1005  1.0
  Cr  Cr5  2  0.3236  0.8843  0.6236  1.0
  Si  Si6  2  0.1614  0.9602  0.3742  1.0
  Si  Si7  1  0.0000  0.5000  0.5000  1.0
]