data_[Ba6Sn4As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1872]
_cell_length_b [5.0581]
_cell_length_c [9.8772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(SnAs2)2]
_chemical_formula_sum '[Ba6 Sn4 As8]'
_cell_volume [599.3413]
_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  0.1375  0.5000  0.7352  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.1715  0.5000  0.3525  1.0
  As  As3  4  0.1045  0.0000  0.4045  1.0
  As  As4  4  0.1859  0.5000  0.0955  1.0
]