data_[Ba8Ag4As8]
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 [C2/m]
_cell_length_a [12.1843]
_cell_length_b [4.6235]
_cell_length_c [11.7294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2AgAs2]
_chemical_formula_sum '[Ba8 Ag4 As8]'
_cell_volume [618.8278]
_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  0.0864  0.0000  0.9077  1.0
  Ba  Ba1  4  0.1964  0.5000  0.6471  1.0
  Ag  Ag2  4  0.0773  0.5000  0.3199  1.0
  As  As3  4  0.0447  0.0000  0.4171  1.0
  As  As4  4  0.1591  0.5000  0.1402  1.0
]