data_[Al4Cr4Ga8Se24]
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
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.3856]
_cell_length_b [11.3636]
_cell_length_c [6.5915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlCr(GaSe3)2]
_chemical_formula_sum '[Al4 Cr4 Ga8 Se24]'
_cell_volume [911.9031]
_cell_formula_units_Z [4]
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  4  0.0000  0.2573  0.7500  1.0
  Cr  Cr1  4  0.0000  0.0881  0.2500  1.0
  Ga  Ga2  8  0.1803  0.4060  0.2954  1.0
  Se  Se3  8  0.1090  0.0851  0.6210  1.0
  Se  Se4  8  0.1229  0.2298  0.0991  1.0
  Se  Se5  8  0.1311  0.4063  0.6328  1.0
]