data_[Ba4In4Sn4As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3119]
_cell_length_b [4.4570]
_cell_length_c [8.4009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2In2Sn2As]
_chemical_formula_sum '[Ba4 In4 Sn4 As2]'
_cell_volume [476.0043]
_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  4  0.0006  0.5000  0.7274  1.0
  In  In1  4  0.2141  0.0000  0.1295  1.0
  Sn  Sn2  4  0.2006  0.0000  0.5729  1.0
  As  As3  2  0.0000  0.0000  0.0000  1.0
]