data_[Al4Cu4Sn4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.6451]
_cell_length_b [7.7641]
_cell_length_c [10.8689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [AlCuSnSe4]
_chemical_formula_sum '[Al4 Cu4 Sn4 Se16]'
_cell_volume [645.1485]
_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  0.2500  0.2500  0.7500  1.0
  Cu  Cu1  4  0.0000  0.2500  0.3668  1.0
  Sn  Sn2  4  0.0000  0.0000  0.0000  1.0
  Se  Se3  8  0.0000  0.0209  0.7495  1.0
  Se  Se4  8  0.2478  0.2500  0.5103  1.0
]