data_[Ba8As2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.8436]
_cell_length_b [8.7423]
_cell_length_c [17.7976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba4AsCl5]
_chemical_formula_sum '[Ba8 As2 Cl10]'
_cell_volume [753.6187]
_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  0.0000  0.2494  0.0000  1
  Ba  Ba1  4  0.0000  0.5000  0.3120  1
  As  As2  2  0.0000  0.5000  0.5000  1
  Cl  Cl3  8  0.0000  0.2352  0.1752  1
  Cl  Cl4  2  0.0000  0.0000  0.5000  1
]