data_[Ta2Al2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9558]
_cell_length_b [2.9923]
_cell_length_c [5.4283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TaAlSb2]
_chemical_formula_sum '[Ta2 Al2 Sb4]'
_cell_volume [170.6958]
_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
[
  Ta  Ta0  2  0.0324  0.5000  0.4606  1
  Al  Al1  2  0.2219  0.0000  0.7980  1
  Sb  Sb2  2  0.2737  0.5000  0.3084  1
  Sb  Sb3  2  0.4720  0.5000  0.9330  1
]