data_[Ba4Ga2Sb2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7813]
_cell_length_b [4.7850]
_cell_length_c [10.2592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2GaSbAs]
_chemical_formula_sum '[Ba4 Ga2 Sb2 As2]'
_cell_volume [365.2181]
_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
[
  Ba  Ba0  2  0.2111  0.2500  0.3999  1.0
  Ba  Ba1  2  0.2478  0.2500  0.9777  1.0
  Ga  Ga2  2  0.4900  0.7500  0.2696  1.0
  Sb  Sb3  2  0.3254  0.7500  0.7022  1.0
  As  As4  2  0.1678  0.7500  0.1723  1.0
]