data_[Ba4Ag6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [19.6545]
_cell_length_b [4.7181]
_cell_length_c [18.3420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba2(AgAs)3]
_chemical_formula_sum '[Ba4 Ag6 As6]'
_cell_volume [1700.8762]
_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  0.0419  0.0000  0.5934  1
  Ba  Ba1  2  0.3347  0.5000  0.5022  1
  Ag  Ag2  2  0.0761  0.5000  0.4517  1
  Ag  Ag3  2  0.1813  0.0000  0.4909  1
  Ag  Ag4  2  0.4941  0.5000  0.4112  1
  As  As5  2  0.1719  0.5000  0.5446  1
  As  As6  2  0.4275  0.0000  0.5720  1
  As  As7  2  0.4448  0.0000  0.4338  1
]