data_[Ba4Sn2Sb2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  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 [7.6413]
_cell_length_b [4.7469]
_cell_length_c [11.6223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2SnSbAs]
_chemical_formula_sum '[Ba4 Sn2 Sb2 As2]'
_cell_volume [400.7489]
_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  0.1686  0.7500  0.3835  1.0
  Ba  Ba1  2  0.2330  0.2500  0.9908  1.0
  Sn  Sn2  2  0.3144  0.7500  0.7778  1.0
  Sb  Sb3  2  0.3300  0.2500  0.6289  1.0
  As  As4  2  0.0167  0.2500  0.1818  1.0
]