data_[Al8Ga4Sn4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2765]
_cell_length_b [13.1511]
_cell_length_c [6.9215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al2GaSnSe6]
_chemical_formula_sum '[Al8 Ga4 Sn4 Se24]'
_cell_volume [1221.2423]
_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  8  0.0648  0.4112  0.1141  1
  Ga  Ga1  4  0.0000  0.1771  0.7500  1
  Sn  Sn2  4  0.0000  0.0835  0.2500  1
  Se  Se3  8  0.1174  0.4312  0.4932  1
  Se  Se4  8  0.1184  0.2478  0.0663  1
  Se  Se5  8  0.1208  0.0667  0.6699  1
]