data_[Ba8As4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4097]
_cell_length_b [4.4170]
_cell_length_c [8.6165]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2As]
_chemical_formula_sum '[Ba8 As4]'
_cell_volume [577.9907]
_cell_formula_units_Z [4]
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  0.0151  0.5000  0.7140  1.0
  Ba  Ba1  4  0.2265  0.0000  0.2710  1.0
  As  As2  4  0.1273  0.0000  0.5411  1.0
]