data_[Al2Sb2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6445]
_cell_length_b [11.5536]
_cell_length_c [18.2219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [AlSbAs2]
_chemical_formula_sum '[Al2 Sb2 As4]'
_cell_volume [767.2685]
_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
[
  Al  Al0  2  0.5000  0.1319  0.5050  1
  Sb  Sb1  2  0.0000  0.3454  0.4557  1
  As  As2  2  0.0000  0.2189  0.5777  1
  As  As3  1  0.5000  0.0000  0.4009  1
  As  As4  1  0.5000  0.5000  0.5224  1
]